Literature DB >> 23468679

Trichlorido(5,5'-dimethyl-2,2'-bipyridine-κ(2) N,N')(dimethyl-formamide-κO)indium(III) hemihydrate.

Sadif A Shirvan1, Sara Haydari Dezfuli, Fereydoon Khazali, Manouchehr Aghajeri, Ali Borsalani.   

Abstract

The asymmetric unit of the title compound, [InCl3(C12H12N2)(C3H7NO)]·0.5H2O, contains two independent In(III) complex mol-ecules with similar structures and one lattice water mol-ecule. In each complex mol-ecule, the In(III) atom is six-coordinated in a distorted octa-hedral geometry, formed by two N atoms from the chelating 5,5'-dimethyl-2,2'-bipyridine ligand, one O atom from a dimethyl-formamide and three facial Cl atoms. In the crystal, the lattice water mol-ecule is linked to the complex mol-ecules via O-H⋯Cl hydrogen bonds. Further weak C-H⋯Cl and C-H⋯O hydrogen bonds result in the formation of a three-dimensional structure.

Entities:  

Year:  2012        PMID： 23468679      PMCID： PMC3588714          DOI： 10.1107/S1600536812044698

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN： 1600-5368


Related literature

For related structures, see: Albada et al. (2004 ▶); Alizadeh et al. (2010 ▶); Amani et al. (2007 ▶, 2009 ▶); Kalateh et al. (2008 ▶); Khalighi et al. (2008 ▶); Shirvan & Haydari Dezfuli (2012 ▶); Tadayon Pour et al. (2008 ▶).

Experimental

Crystal data

[InCl3(C12H12N2)(C3H7NO)]·0.5H2O M = 487.51 Triclinic, a = 11.3021 (5) Å b = 11.4445 (5) Å c = 15.0860 (6) Å α = 91.089 (4)° β = 96.024 (3)° γ = 96.448 (4)° V = 1927.34 (14) Å3 Z = 4 Mo Kα radiation μ = 1.65 mm−1 T = 173 K 0.32 × 0.30 × 0.25 mm

Data collection

Bruker APEXII CCD area-detector diffractometer Absorption correction: multi-scan (SADABS; Bruker, 2001 ▶) T min = 0.601, T max = 0.688 15402 measured reflections 7524 independent reflections 6051 reflections with I > 2σ(I) R int = 0.036

Refinement

R[F 2 > 2σ(F 2)] = 0.034 wR(F 2) = 0.067 S = 1.03 7524 reflections 437 parameters 3 restraints H atoms treated by a mixture of independent and constrained refinement Δρmax = 0.57 e Å−3 Δρmin = −0.54 e Å−3 Data collection: APEX2 (Bruker, 2007 ▶); cell refinement: SAINT (Bruker, 2007 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL. Click here for additional data file. Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536812044698/xu5639sup1.cif Click here for additional data file. Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812044698/xu5639Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[InCl3(C12H12N2)(C3H7NO)]·0.5H2OZ = 4
Mr = 487.51F(000) = 972
Triclinic, P1Dx = 1.680 Mg m−3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 11.3021 (5) ÅCell parameters from 15402 reflections
b = 11.4445 (5) Åθ = 2.4–26.0°
c = 15.0860 (6) ŵ = 1.65 mm−1
α = 91.089 (4)°T = 173 K
β = 96.024 (3)°Block, colorless
γ = 96.448 (4)°0.32 × 0.30 × 0.25 mm
V = 1927.34 (14) Å3
Bruker APEXII CCD area-detector diffractometer7524 independent reflections
Radiation source: fine-focus sealed tube6051 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.036
ω scansθmax = 26.0°, θmin = 2.4°
Absorption correction: multi-scan (SADABS; Bruker, 2001)h = −13→13
Tmin = 0.601, Tmax = 0.688k = −14→14
15402 measured reflectionsl = −18→18
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.034Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.067H atoms treated by a mixture of independent and constrained refinement
S = 1.03w = 1/[σ2(Fo2) + (0.0309P)2 + 0.5815P] where P = (Fo2 + 2Fc2)/3
7524 reflections(Δ/σ)max = 0.001
437 parametersΔρmax = 0.57 e Å−3
3 restraintsΔρmin = −0.54 e Å−3
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.
xyzUiso*/Ueq
C10.5123 (3)1.0246 (3)0.2042 (2)0.0251 (7)
H10.54501.08900.17460.030*
C20.3899 (3)1.0132 (3)0.2121 (2)0.0255 (7)
C30.3115 (3)1.1025 (4)0.1753 (3)0.0341 (9)
H3C0.26521.12700.22060.041*
H3B0.25871.06820.12530.041*
H3A0.36061.16940.15640.041*
C40.3441 (3)0.9152 (3)0.2551 (2)0.0277 (8)
H40.26250.90310.26080.033*
C50.4183 (3)0.8350 (3)0.2899 (2)0.0249 (7)
H50.38750.76970.31940.030*
C60.5403 (3)0.8539 (3)0.2797 (2)0.0222 (7)
C70.6250 (3)0.7694 (3)0.3113 (2)0.0206 (7)
C80.5969 (3)0.6830 (3)0.3715 (2)0.0261 (7)
H80.52270.67600.39350.031*
C90.6800 (3)0.6076 (3)0.3984 (2)0.0293 (8)
H90.66260.55100.44000.035*
C100.7899 (3)0.6162 (3)0.3633 (2)0.0272 (8)
C110.8797 (4)0.5334 (4)0.3906 (3)0.0377 (9)
H11C0.88450.52430.45390.045*
H11B0.95670.56450.37440.045*
H11A0.85540.45830.36090.045*
C120.8112 (3)0.7047 (3)0.3039 (2)0.0252 (7)
H120.88390.71170.27970.030*
C130.8628 (3)1.0800 (3)0.4086 (2)0.0269 (8)
H130.90231.13860.37700.032*
C140.9446 (4)1.1909 (4)0.5437 (3)0.0495 (12)
H14C1.00741.16570.58420.059*
H14B0.89241.23130.57660.059*
H14A0.97881.24300.50170.059*
C150.8199 (4)0.9974 (4)0.5493 (3)0.0422 (10)
H15A0.79730.92660.51340.051*
H15B0.75011.02370.57060.051*
H15C0.87560.98190.59900.051*
C160.4078 (3)0.2947 (3)0.3691 (2)0.0267 (7)
H160.34320.27360.40120.032*
C170.5101 (3)0.2392 (3)0.3877 (2)0.0272 (8)
C180.5177 (4)0.1442 (3)0.4548 (3)0.0359 (9)
H18A0.45720.07990.43720.043*
H18B0.50540.17510.51230.043*
H18C0.59530.11700.45770.043*
C190.6052 (3)0.2748 (3)0.3395 (2)0.0314 (8)
H190.67630.24100.34980.038*
C200.5954 (3)0.3597 (3)0.2764 (2)0.0312 (8)
H200.65940.38320.24420.037*
C210.4897 (3)0.4096 (3)0.2615 (2)0.0232 (7)
C220.4726 (3)0.5031 (3)0.1956 (2)0.0236 (7)
C230.5582 (3)0.5398 (3)0.1397 (2)0.0317 (8)
H230.62990.50670.14270.038*
C240.5356 (4)0.6265 (4)0.0791 (2)0.0341 (9)
H240.59250.65170.04110.041*
C250.4292 (3)0.6756 (3)0.0749 (2)0.0301 (8)
C260.4010 (4)0.7694 (4)0.0104 (3)0.0460 (11)
H26C0.47090.82500.00840.055*
H26B0.33710.80910.02930.055*
H26A0.37710.7341−0.04790.055*
C270.3478 (3)0.6325 (3)0.1325 (2)0.0287 (8)
H270.27440.66250.12950.034*
C280.1038 (3)0.2848 (4)0.1282 (2)0.0322 (8)
H280.07200.23560.17030.039*
C290.1028 (5)0.3466 (5)−0.0221 (3)0.0639 (15)
H29C0.14060.3045−0.06480.077*
H29B0.15910.40900.00580.077*
H29A0.03520.3791−0.05180.077*
C30−0.0240 (5)0.1663 (6)0.0160 (3)0.0706 (18)
H30A−0.04550.12300.06690.085*
H30B0.01050.1162−0.02350.085*
H30C−0.09410.1933−0.01460.085*
N10.5854 (2)0.9478 (2)0.23712 (18)0.0219 (6)
N20.7329 (2)0.7812 (2)0.27921 (17)0.0209 (6)
N30.8759 (3)1.0879 (3)0.49582 (19)0.0290 (7)
N40.3964 (2)0.3764 (2)0.30794 (18)0.0229 (6)
N50.3691 (3)0.5500 (3)0.19222 (18)0.0234 (6)
N60.0629 (3)0.2669 (3)0.0452 (2)0.0378 (8)
O10.7993 (2)0.9967 (2)0.36637 (15)0.0309 (6)
O20.1854 (2)0.3663 (2)0.15434 (17)0.0375 (6)
O30.1661 (4)0.5577 (4)−0.1491 (4)0.0903 (15)
Cl10.72933 (9)0.90119 (10)0.06210 (6)0.0395 (2)
Cl20.99623 (8)0.93947 (9)0.22712 (6)0.0333 (2)
Cl30.79761 (8)1.17277 (8)0.19951 (6)0.0313 (2)
Cl40.29650 (8)0.59312 (8)0.41650 (6)0.03024 (19)
Cl50.08798 (9)0.60500 (10)0.22539 (7)0.0435 (3)
Cl60.10673 (8)0.31911 (9)0.35452 (6)0.0355 (2)
In10.78415 (2)0.95952 (2)0.217222 (15)0.02104 (7)
In20.22743 (2)0.46926 (2)0.280738 (15)0.02290 (7)
H3D0.099 (2)0.521 (3)−0.168 (3)0.100*
H3E0.155 (3)0.6286 (12)−0.156 (3)0.100*
U11U22U33U12U13U23
C10.0259 (18)0.0258 (18)0.0228 (16)0.0032 (14)−0.0012 (14)0.0023 (14)
C20.0253 (18)0.0315 (19)0.0194 (16)0.0047 (15)−0.0001 (13)−0.0012 (14)
C30.029 (2)0.040 (2)0.034 (2)0.0100 (17)0.0012 (16)0.0072 (17)
C40.0188 (17)0.037 (2)0.0276 (17)0.0032 (15)0.0036 (14)−0.0021 (15)
C50.0258 (18)0.0259 (18)0.0227 (16)−0.0021 (14)0.0062 (14)0.0030 (14)
C60.0249 (18)0.0227 (17)0.0184 (15)−0.0008 (14)0.0042 (13)−0.0016 (13)
C70.0214 (17)0.0207 (17)0.0189 (15)−0.0019 (13)0.0034 (13)−0.0014 (13)
C80.0228 (18)0.0287 (19)0.0278 (17)0.0010 (14)0.0087 (14)0.0035 (14)
C90.034 (2)0.0283 (19)0.0262 (18)0.0044 (16)0.0052 (15)0.0079 (15)
C100.0265 (19)0.0279 (19)0.0275 (17)0.0052 (15)0.0022 (14)0.0025 (14)
C110.034 (2)0.039 (2)0.043 (2)0.0098 (18)0.0055 (18)0.0156 (18)
C120.0220 (18)0.0290 (19)0.0244 (17)0.0020 (14)0.0032 (13)−0.0009 (14)
C130.0236 (18)0.033 (2)0.0238 (17)0.0024 (15)0.0026 (14)0.0021 (15)
C140.059 (3)0.049 (3)0.034 (2)−0.010 (2)−0.003 (2)−0.006 (2)
C150.043 (2)0.059 (3)0.0232 (18)−0.006 (2)0.0073 (17)0.0034 (18)
C160.0285 (19)0.0246 (18)0.0280 (18)0.0033 (14)0.0071 (14)0.0036 (14)
C170.031 (2)0.0233 (18)0.0261 (17)0.0031 (15)−0.0029 (15)−0.0003 (14)
C180.040 (2)0.032 (2)0.037 (2)0.0107 (17)0.0023 (17)0.0090 (17)
C190.031 (2)0.030 (2)0.035 (2)0.0141 (16)0.0039 (16)0.0006 (16)
C200.0260 (19)0.033 (2)0.036 (2)0.0077 (16)0.0073 (16)0.0028 (16)
C210.0237 (18)0.0223 (17)0.0227 (16)0.0005 (14)0.0006 (13)0.0013 (13)
C220.0244 (18)0.0243 (18)0.0217 (16)0.0018 (14)0.0015 (13)−0.0005 (13)
C230.0263 (19)0.036 (2)0.0326 (19)−0.0013 (16)0.0095 (15)0.0031 (16)
C240.033 (2)0.042 (2)0.0265 (18)−0.0049 (17)0.0088 (15)0.0060 (16)
C250.032 (2)0.033 (2)0.0243 (18)−0.0030 (16)0.0014 (15)0.0070 (15)
C260.038 (2)0.058 (3)0.042 (2)0.003 (2)0.0017 (19)0.026 (2)
C270.0258 (19)0.032 (2)0.0281 (18)0.0048 (15)−0.0012 (15)0.0067 (15)
C280.0259 (19)0.041 (2)0.0300 (19)0.0034 (17)0.0055 (15)−0.0032 (16)
C290.080 (4)0.075 (4)0.035 (2)0.016 (3)−0.006 (2)0.007 (2)
C300.045 (3)0.107 (5)0.053 (3)−0.023 (3)0.013 (2)−0.039 (3)
N10.0232 (15)0.0209 (14)0.0210 (13)0.0001 (11)0.0022 (11)0.0026 (11)
N20.0216 (14)0.0211 (14)0.0197 (13)−0.0001 (11)0.0034 (11)0.0011 (11)
N30.0267 (16)0.0348 (17)0.0238 (15)−0.0005 (13)−0.0006 (12)−0.0027 (13)
N40.0211 (15)0.0235 (15)0.0236 (14)0.0012 (12)0.0010 (11)0.0041 (11)
N50.0220 (15)0.0279 (15)0.0197 (13)0.0001 (12)0.0015 (11)0.0029 (12)
N60.0271 (17)0.055 (2)0.0313 (17)0.0066 (15)0.0014 (13)−0.0081 (16)
O10.0349 (15)0.0336 (14)0.0220 (12)−0.0056 (11)0.0037 (10)−0.0001 (11)
O20.0383 (16)0.0420 (16)0.0289 (13)−0.0062 (13)0.0002 (12)−0.0016 (12)
O30.066 (3)0.056 (2)0.153 (4)0.007 (2)0.023 (3)0.036 (3)
Cl10.0392 (5)0.0567 (6)0.0198 (4)−0.0049 (5)0.0021 (4)−0.0024 (4)
Cl20.0199 (4)0.0461 (6)0.0344 (5)0.0039 (4)0.0040 (3)0.0086 (4)
Cl30.0316 (5)0.0272 (5)0.0364 (5)0.0020 (4)0.0097 (4)0.0079 (4)
Cl40.0338 (5)0.0286 (5)0.0276 (4)−0.0034 (4)0.0071 (4)0.0028 (3)
Cl50.0327 (5)0.0588 (7)0.0450 (5)0.0229 (5)0.0101 (4)0.0232 (5)
Cl60.0294 (5)0.0353 (5)0.0409 (5)−0.0057 (4)0.0085 (4)0.0084 (4)
In10.01898 (13)0.02579 (14)0.01822 (11)0.00006 (10)0.00357 (9)0.00353 (9)
In20.01887 (13)0.02634 (14)0.02381 (13)0.00307 (10)0.00239 (9)0.00571 (10)
C1—N11.340 (4)C18—H18C0.9600
C1—C21.393 (5)C19—C201.378 (5)
C1—H10.9300C19—H190.9300
C2—C41.383 (5)C20—C211.381 (5)
C2—C31.504 (5)C20—H200.9300
C3—H3C0.9600C21—N41.349 (4)
C3—H3B0.9600C21—C221.490 (5)
C3—H3A0.9600C22—N51.337 (4)
C4—C51.386 (5)C22—C231.385 (5)
C4—H40.9300C23—C241.389 (6)
C5—C61.396 (5)C23—H230.9300
C5—H50.9300C24—C251.380 (6)
C6—N11.342 (4)C24—H240.9300
C6—C71.487 (5)C25—C271.387 (5)
C7—N21.352 (4)C25—C261.501 (5)
C7—C81.388 (5)C26—H26C0.9600
C8—C91.381 (5)C26—H26B0.9600
C8—H80.9300C26—H26A0.9600
C9—C101.395 (5)C27—N51.341 (4)
C9—H90.9300C27—H270.9300
C10—C121.384 (5)C28—O21.262 (4)
C10—C111.496 (5)C28—N61.293 (5)
C11—H11C0.9600C28—H280.9300
C11—H11B0.9600C29—N61.452 (6)
C11—H11A0.9600C29—H29C0.9600
C12—N21.343 (4)C29—H29B0.9600
C12—H120.9300C29—H29A0.9600
C13—O11.248 (4)C30—N61.456 (6)
C13—N31.309 (4)C30—H30A0.9600
C13—H130.9300C30—H30B0.9600
C14—N31.469 (5)C30—H30C0.9600
C14—H14C0.9600O3—H3D0.844 (10)
C14—H14B0.9600O3—H3E0.841 (10)
C14—H14A0.9600In1—Cl12.4185 (9)
C15—N31.454 (5)In1—Cl22.4227 (9)
C15—H15A0.9600In1—Cl32.4496 (9)
C15—H15B0.9600In1—O12.267 (2)
C15—H15C0.9600In1—N12.287 (3)
C16—N41.333 (4)In1—N22.301 (3)
C16—C171.387 (5)In2—Cl42.4737 (9)
C16—H160.9300In2—Cl52.4327 (10)
C17—C191.388 (5)In2—Cl62.4326 (9)
C17—C181.502 (5)In2—O22.202 (3)
C18—H18A0.9600In2—N42.292 (3)
C18—H18B0.9600In2—N52.316 (3)
N1—C1—C2123.4 (3)C24—C23—H23120.4
N1—C1—H1118.3C25—C24—C23120.2 (3)
C2—C1—H1118.3C25—C24—H24119.9
C4—C2—C1116.6 (3)C23—C24—H24119.9
C4—C2—C3121.7 (3)C24—C25—C27116.7 (3)
C1—C2—C3121.6 (3)C24—C25—C26122.0 (3)
C2—C3—H3C109.5C27—C25—C26121.3 (4)
C2—C3—H3B109.5C25—C26—H26C109.5
H3C—C3—H3B109.5C25—C26—H26B109.5
C2—C3—H3A109.5H26C—C26—H26B109.5
H3C—C3—H3A109.5C25—C26—H26A109.5
H3B—C3—H3A109.5H26C—C26—H26A109.5
C2—C4—C5120.8 (3)H26B—C26—H26A109.5
C2—C4—H4119.6N5—C27—C25123.7 (3)
C5—C4—H4119.6N5—C27—H27118.2
C4—C5—C6118.8 (3)C25—C27—H27118.2
C4—C5—H5120.6O2—C28—N6122.5 (4)
C6—C5—H5120.6O2—C28—H28118.7
N1—C6—C5120.9 (3)N6—C28—H28118.7
N1—C6—C7116.8 (3)N6—C29—H29C109.5
C5—C6—C7122.2 (3)N6—C29—H29B109.5
N2—C7—C8120.9 (3)H29C—C29—H29B109.5
N2—C7—C6116.7 (3)N6—C29—H29A109.5
C8—C7—C6122.4 (3)H29C—C29—H29A109.5
C9—C8—C7119.5 (3)H29B—C29—H29A109.5
C9—C8—H8120.3N6—C30—H30A109.5
C7—C8—H8120.3N6—C30—H30B109.5
C8—C9—C10120.1 (3)H30A—C30—H30B109.5
C8—C9—H9119.9N6—C30—H30C109.5
C10—C9—H9119.9H30A—C30—H30C109.5
C12—C10—C9116.8 (3)H30B—C30—H30C109.5
C12—C10—C11122.6 (3)C1—N1—C6119.4 (3)
C9—C10—C11120.6 (3)C1—N1—In1123.7 (2)
C10—C11—H11C109.5C6—N1—In1116.7 (2)
C10—C11—H11B109.5C12—N2—C7118.8 (3)
H11C—C11—H11B109.5C12—N2—In1124.1 (2)
C10—C11—H11A109.5C7—N2—In1115.0 (2)
H11C—C11—H11A109.5C13—N3—C15121.6 (3)
H11B—C11—H11A109.5C13—N3—C14121.2 (3)
N2—C12—C10123.8 (3)C15—N3—C14117.2 (3)
N2—C12—H12118.1C16—N4—C21119.0 (3)
C10—C12—H12118.1C16—N4—In2123.1 (2)
O1—C13—N3122.3 (3)C21—N4—In2117.8 (2)
O1—C13—H13118.8C22—N5—C27119.1 (3)
N3—C13—H13118.8C22—N5—In2117.4 (2)
N3—C14—H14C109.5C27—N5—In2123.2 (2)
N3—C14—H14B109.5C28—N6—C29120.8 (4)
H14C—C14—H14B109.5C28—N6—C30121.4 (4)
N3—C14—H14A109.5C29—N6—C30117.8 (4)
H14C—C14—H14A109.5C13—O1—In1126.5 (2)
H14B—C14—H14A109.5C28—O2—In2132.3 (3)
N3—C15—H15A109.5H3D—O3—H3E103.2 (16)
N3—C15—H15B109.5O1—In1—N180.31 (9)
H15A—C15—H15B109.5O1—In1—N274.40 (9)
N3—C15—H15C109.5N1—In1—N272.49 (10)
H15A—C15—H15C109.5O1—In1—Cl1168.73 (7)
H15B—C15—H15C109.5N1—In1—Cl189.31 (7)
N4—C16—C17124.0 (3)N2—In1—Cl198.40 (7)
N4—C16—H16118.0O1—In1—Cl290.23 (7)
C17—C16—H16118.0N1—In1—Cl2165.72 (7)
C16—C17—C19116.1 (3)N2—In1—Cl294.75 (7)
C16—C17—C18122.3 (3)Cl1—In1—Cl299.11 (3)
C19—C17—C18121.5 (3)O1—In1—Cl387.14 (7)
C17—C18—H18A109.5N1—In1—Cl392.18 (7)
C17—C18—H18B109.5N2—In1—Cl3157.55 (7)
H18A—C18—H18B109.5Cl1—In1—Cl397.68 (4)
C17—C18—H18C109.5Cl2—In1—Cl398.06 (3)
H18A—C18—H18C109.5O2—In2—N488.49 (10)
H18B—C18—H18C109.5O2—In2—N576.22 (10)
C20—C19—C17120.7 (3)N4—In2—N571.49 (10)
C20—C19—H19119.6O2—In2—Cl689.75 (7)
C17—C19—H19119.6N4—In2—Cl692.52 (7)
C19—C20—C21119.3 (4)N5—In2—Cl6158.71 (8)
C19—C20—H20120.4O2—In2—Cl589.31 (8)
C21—C20—H20120.4N4—In2—Cl5162.54 (7)
N4—C21—C20120.9 (3)N5—In2—Cl591.17 (8)
N4—C21—C22116.6 (3)Cl6—In2—Cl5104.79 (4)
C20—C21—C22122.6 (3)O2—In2—Cl4173.50 (8)
N5—C22—C23121.1 (3)N4—In2—Cl487.98 (7)
N5—C22—C21116.6 (3)N5—In2—Cl497.47 (7)
C23—C22—C21122.3 (3)Cl6—In2—Cl495.86 (3)
C22—C23—C24119.2 (4)Cl5—In2—Cl492.42 (4)
C22—C23—H23120.4
N1—C1—C2—C4−1.2 (5)C23—C22—N5—In2174.8 (3)
N1—C1—C2—C3179.1 (3)C21—C22—N5—In2−4.7 (4)
C1—C2—C4—C51.4 (5)C25—C27—N5—C22−2.1 (5)
C3—C2—C4—C5−178.9 (3)C25—C27—N5—In2−175.4 (3)
C2—C4—C5—C6−0.8 (5)O2—C28—N6—C29−4.9 (6)
C4—C5—C6—N1−0.1 (5)O2—C28—N6—C30174.8 (4)
C4—C5—C6—C7−177.1 (3)N3—C13—O1—In1−172.6 (3)
N1—C6—C7—N2−12.9 (4)N6—C28—O2—In2151.2 (3)
C5—C6—C7—N2164.3 (3)C13—O1—In1—N1−130.2 (3)
N1—C6—C7—C8166.3 (3)C13—O1—In1—N2155.4 (3)
C5—C6—C7—C8−16.5 (5)C13—O1—In1—Cl1−153.3 (3)
N2—C7—C8—C9−0.5 (5)C13—O1—In1—Cl260.6 (3)
C6—C7—C8—C9−179.7 (3)C13—O1—In1—Cl3−37.5 (3)
C7—C8—C9—C10−1.8 (5)C1—N1—In1—O1113.0 (3)
C8—C9—C10—C122.0 (5)C6—N1—In1—O1−71.1 (2)
C8—C9—C10—C11−178.8 (3)C1—N1—In1—N2−170.4 (3)
C9—C10—C12—N20.2 (5)C6—N1—In1—N25.5 (2)
C11—C10—C12—N2−179.1 (3)C1—N1—In1—Cl1−71.4 (2)
N4—C16—C17—C191.2 (5)C6—N1—In1—Cl1104.5 (2)
N4—C16—C17—C18−177.6 (3)C1—N1—In1—Cl2162.2 (2)
C16—C17—C19—C20−0.7 (5)C6—N1—In1—Cl2−22.0 (5)
C18—C17—C19—C20178.2 (3)C1—N1—In1—Cl326.3 (2)
C17—C19—C20—C210.1 (6)C6—N1—In1—Cl3−157.8 (2)
C19—C20—C21—N40.1 (5)C12—N2—In1—O1−91.2 (3)
C19—C20—C21—C22179.1 (3)C7—N2—In1—O172.3 (2)
N4—C21—C22—N53.7 (4)C12—N2—In1—N1−175.7 (3)
C20—C21—C22—N5−175.3 (3)C7—N2—In1—N1−12.3 (2)
N4—C21—C22—C23−175.8 (3)C12—N2—In1—Cl197.7 (2)
C20—C21—C22—C235.2 (5)C7—N2—In1—Cl1−98.9 (2)
N5—C22—C23—C24−0.2 (5)C12—N2—In1—Cl2−2.2 (2)
C21—C22—C23—C24179.3 (3)C7—N2—In1—Cl2161.2 (2)
C22—C23—C24—C250.1 (6)C12—N2—In1—Cl3−126.9 (2)
C23—C24—C25—C27−1.0 (5)C7—N2—In1—Cl336.5 (3)
C23—C24—C25—C26−179.9 (4)C28—O2—In2—N4111.2 (4)
C24—C25—C27—N52.1 (5)C28—O2—In2—N5−177.5 (4)
C26—C25—C27—N5−179.1 (4)C28—O2—In2—Cl618.7 (4)
C2—C1—N1—C60.4 (5)C28—O2—In2—Cl5−86.1 (4)
C2—C1—N1—In1176.1 (2)C28—O2—In2—Cl4168.4 (5)
C5—C6—N1—C10.3 (5)C16—N4—In2—O2−107.4 (3)
C7—C6—N1—C1177.5 (3)C21—N4—In2—O274.9 (2)
C5—C6—N1—In1−175.7 (2)C16—N4—In2—N5176.6 (3)
C7—C6—N1—In11.4 (3)C21—N4—In2—N5−1.0 (2)
C10—C12—N2—C7−2.5 (5)C16—N4—In2—Cl6−17.7 (3)
C10—C12—N2—In1160.4 (3)C21—N4—In2—Cl6164.6 (2)
C8—C7—N2—C122.6 (5)C16—N4—In2—Cl5169.7 (2)
C6—C7—N2—C12−178.2 (3)C21—N4—In2—Cl5−8.0 (4)
C8—C7—N2—In1−161.8 (2)C16—N4—In2—Cl478.1 (3)
C6—C7—N2—In117.5 (3)C21—N4—In2—Cl4−99.6 (2)
O1—C13—N3—C152.1 (6)C22—N5—In2—O2−89.9 (2)
O1—C13—N3—C14−175.8 (4)C27—N5—In2—O283.5 (3)
C17—C16—N4—C21−1.1 (5)C22—N5—In2—N43.1 (2)
C17—C16—N4—In2−178.7 (3)C27—N5—In2—N4176.5 (3)
C20—C21—N4—C160.4 (5)C22—N5—In2—Cl6−39.9 (4)
C22—C21—N4—C16−178.7 (3)C27—N5—In2—Cl6133.5 (2)
C20—C21—N4—In2178.1 (3)C22—N5—In2—Cl5−178.9 (2)
C22—C21—N4—In2−0.9 (4)C27—N5—In2—Cl5−5.5 (3)
C23—C22—N5—C271.1 (5)C22—N5—In2—Cl488.5 (2)
C21—C22—N5—C27−178.4 (3)C27—N5—In2—Cl4−98.1 (3)
D—H···AD—HH···AD···AD—H···A
O3—H3D···Cl5i0.84 (3)2.49 (3)3.326 (5)174 (3)
O3—H3E···Cl3ii0.84 (2)2.40 (2)3.183 (5)156 (3)
C5—H5···Cl40.932.693.620 (3)175
C8—H8···Cl40.932.693.574 (4)160
C9—H9···Cl4iii0.932.783.657 (3)158
C16—H16···Cl60.932.803.430 (4)126
C20—H20···O3iv0.932.603.526 (6)178
C23—H23···O3iv0.932.493.416 (6)173
C27—H27···Cl50.932.713.370 (4)129
Table 1

Selected bond lengths (Å)

In1—Cl12.4185 (9)
In1—Cl22.4227 (9)
In1—Cl32.4496 (9)
In1—O12.267 (2)
In1—N12.287 (3)
In1—N22.301 (3)
In2—Cl42.4737 (9)
In2—Cl52.4327 (10)
In2—Cl62.4326 (9)
In2—O22.202 (3)
In2—N42.292 (3)
In2—N52.316 (3)
Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A D—HH⋯A D⋯A D—H⋯A
O3—H3D⋯Cl5i 0.84 (3)2.49 (3)3.326 (5)174 (3)
O3—H3E⋯Cl3ii 0.84 (2)2.40 (2)3.183 (5)156 (3)
C5—H5⋯Cl40.932.693.620 (3)175
C8—H8⋯Cl40.932.693.574 (4)160
C9—H9⋯Cl4iii 0.932.783.657 (3)158
C20—H20⋯O3iv 0.932.603.526 (6)178
C23—H23⋯O3iv 0.932.493.416 (6)173

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) .

  5 in total

1.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290

2.  Trichlorido(5,5'-dimethyl-2,2'-bipyridine-κN,N')(methanol-κO)indium(III).

Authors:  Khadijeh Kalateh; Roya Ahmadi; Amin Ebadi; Vahid Amani; Hamid Reza Khavasi
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2008-10-04

3.  Dichlorido(5,5'-dimethyl-2,2'-bipyridine-κN,N')zinc(II).

Authors:  Aida Khalighi; Roya Ahmadi; Vahid Amani; Hamid Reza Khavasi
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2008-08-30

4.  (5,5'-Dimethyl-2,2'-bipyridine-κN,N')diiodidomercury(II).

Authors:  Nasim Tadayon Pour; Amin Ebadi; Anita Abedi; Vahid Amani; Hamid Reza Khavasi
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2008-09-20

5.  catena-Poly[[(5,5'-dimethyl-2,2'-bipyridine-κ(2)N,N')cadmium]-di-μ-bromido].

Authors:  Sadif A Shirvan; Sara Haydari Dezfuli
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2012-05-31
  5 in total

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