Literature DB >> 22065044

Poly[[(2,2'-bipyridine)(μ(3)-7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato)cadmium] monohydrate].

Ling-Ling Zhang, Shi-Kun Li, Jie Feng, Qiu-Yue Lin.   

Abstract

The title compound, {[Cd(C(8)H(8)O(5))(C(10)H(8)n class="Chemical">N(2))]·H(2)O}(n), was obtained by the reaction of cadmium acetate with 2,2'-bi-pyridine and 7-oxabicyclo-(2.2.1)heptane-2,3-dicarb-oxy-lic anhydride. The Cd(II) atom is seven-coordinated in a distorted penta-gonal-bipyramidal configuration, defined by five O atoms from the carboxyl-ate groups of three 7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato ligands and two N atoms from the 2,2'-bipyridine ligand. Two O atoms link two Cd(II) atoms, forming a dinuclear center: the Cd-O-Cd bridging angle is 110.19 (6)°. The polymeric structure extends along [100] and is linked by inter-molecular O-H⋯O hydrogen bonds involving the solvent water molecule. Extensive π-π stacking exists between 2,2-bypiridine ligands along [010] with centroid-centroid distance of 3.650 (2) Å

Entities:  

Year:  2011        PMID： 22065044      PMCID： PMC3201414          DOI： 10.1107/S1600536811036634

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


Related literature

For background to the applications of norcantharidin [systematic name: 7-oxabicyclo­[2.2.1]heptane-2,3-dicarb­oxy­lic anhydride], see: Wang et al. (1989 ▶). F or related structures, see: Yin et al. (2003 ▶); Wang et al. (2009 ▶).

Experimental

Crystal data

[Cd(C8H8O5)(C10n class="Species">H8N2)]·H2O M = 470.75 Triclinic, a = 8.2599 (1) Å b = 10.5950 (2) Å c = 11.1097 (2) Å α = 111.784 (1)° β = 94.066 (1)° γ = 102.749 (1)° V = 867.94 (2) Å3 Z = 2 Mo Kα radiation μ = 1.30 mm−1 T = 296 K 0.33 × 0.14 × 0.07 mm

Data collection

Bruker SMART APEXII CCD diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.803, T max = 0.918 13190 measured reflections 3972 independent reflections 3699 reflections with I > 2σ(I) R int = 0.021

Refinement

R[F 2 > 2σ(F 2)] = 0.022 wR(F 2) = 0.059 S = 0.95 3972 reflections 250 parameters 3 restraints H atoms treated by a mixture of independent and constrained refinement Δρmax = 0.34 e Å−3 Δρmin = −0.56 e Å−3 Data collection: APEX2 (Bruker, 2004 ▶); cell refinement: SAINT (Bruker, 2001 ▶); data reduction: SAIn class="Chemical">NT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL. Crystal structure: contains datablock(s) global. DOI: 10.1107/S1600536811036634/zb2016sup1.cif Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811036634/zb2016Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Cd(C8H8O5)(C10H8N2)]·H2OZ = 2
Mr = 470.75F(000) = 472
Triclinic, P1Dx = 1.801 Mg m−3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 8.2599 (1) ÅCell parameters from 7860 reflections
b = 10.5950 (2) Åθ = 2.0–27.6°
c = 11.1097 (2) ŵ = 1.30 mm−1
α = 111.784 (1)°T = 296 K
β = 94.066 (1)°Block, colourless
γ = 102.749 (1)°0.33 × 0.14 × 0.07 mm
V = 867.94 (2) Å3
Bruker SMART APEXII CCD diffractometer3972 independent reflections
Radiation source: fine-focus sealed tube3699 reflections with I > 2σ(I)
graphiteRint = 0.021
ω scansθmax = 27.6°, θmin = 2.0°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)h = −10→10
Tmin = 0.803, Tmax = 0.918k = −13→13
13190 measured reflectionsl = −14→14
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.022Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.059H atoms treated by a mixture of independent and constrained refinement
S = 0.95w = 1/[σ2(Fo2) + (0.0358P)2 + 0.509P] where P = (Fo2 + 2Fc2)/3
3972 reflections(Δ/σ)max < 0.001
250 parametersΔρmax = 0.34 e Å−3
3 restraintsΔρmin = −0.56 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
Cd10.622884 (17)0.135016 (14)0.438680 (14)0.02838 (6)
N10.7226 (2)0.34613 (18)0.41261 (17)0.0312 (4)
N20.5919 (2)0.32243 (19)0.62096 (18)0.0329 (4)
O1W0.4578 (5)0.1298 (4)0.0551 (3)0.1174 (12)
H1WA0.411 (7)0.057 (5)−0.024 (3)0.176*
H1WB0.400 (8)0.088 (6)0.104 (5)0.176*
O10.37311 (19)−0.02140 (17)0.40538 (16)0.0371 (3)
O20.3303 (2)0.11060 (18)0.30183 (19)0.0449 (4)
O3−0.3040 (2)−0.0038 (2)0.22846 (18)0.0500 (5)
O4−0.1199 (2)0.09023 (19)0.40964 (15)0.0432 (4)
O5−0.0940 (2)−0.27932 (18)0.14335 (18)0.0474 (4)
C10.2765 (2)0.0124 (2)0.33481 (19)0.0274 (4)
C20.0974 (2)−0.0774 (2)0.29330 (19)0.0267 (4)
H2A0.0520−0.07880.37210.032*
C30.0822 (3)−0.2314 (2)0.1986 (2)0.0361 (5)
H3A0.1177−0.28820.24260.043*
C40.1675 (3)−0.2356 (3)0.0796 (2)0.0452 (6)
H4A0.1784−0.32930.02900.054*
H4B0.2776−0.16850.10580.054*
C50.0417 (4)−0.1935 (4)0.0024 (3)0.0565 (7)
H5A0.0937−0.1068−0.00670.068*
H5B−0.0049−0.2675−0.08410.068*
C6−0.0928 (3)−0.1738 (3)0.0910 (2)0.0439 (6)
H6A−0.2029−0.18270.04480.053*
C7−0.0255 (3)−0.0357 (2)0.21353 (19)0.0296 (4)
H7A0.03820.03710.18780.036*
C8−0.1600 (3)0.0185 (2)0.2884 (2)0.0305 (4)
C90.7903 (3)0.3532 (3)0.3088 (2)0.0402 (5)
H9A0.78960.26950.24000.048*
C100.8609 (3)0.4784 (3)0.2992 (3)0.0465 (6)
H10A0.90630.47940.22520.056*
C110.8631 (4)0.6025 (3)0.4012 (3)0.0477 (6)
H11A0.91150.68890.39790.057*
C120.7923 (3)0.5967 (2)0.5088 (2)0.0407 (5)
H12A0.79140.67930.57840.049*
C130.7229 (3)0.4670 (2)0.5117 (2)0.0295 (4)
C140.6425 (3)0.4529 (2)0.6236 (2)0.0295 (4)
C150.6177 (3)0.5688 (2)0.7256 (2)0.0393 (5)
H15A0.65480.65910.72730.047*
C160.5372 (4)0.5476 (3)0.8235 (2)0.0476 (6)
H16A0.51990.62370.89240.057*
C170.4825 (3)0.4128 (3)0.8190 (2)0.0463 (6)
H17A0.42610.39640.88350.056*
C180.5134 (3)0.3037 (3)0.7171 (2)0.0410 (5)
H18A0.47840.21290.71450.049*
U11U22U33U12U13U23
Cd10.02580 (9)0.02276 (9)0.03633 (9)0.00709 (6)0.00848 (6)0.01055 (6)
N10.0303 (9)0.0274 (9)0.0358 (9)0.0080 (7)0.0086 (7)0.0118 (7)
N20.0360 (10)0.0287 (9)0.0367 (9)0.0109 (7)0.0097 (8)0.0139 (7)
O1W0.152 (3)0.093 (2)0.087 (2)0.012 (2)−0.004 (2)0.0295 (18)
O10.0269 (8)0.0421 (9)0.0458 (9)0.0071 (6)0.0014 (6)0.0233 (7)
O20.0348 (9)0.0379 (9)0.0687 (11)0.0044 (7)0.0074 (8)0.0317 (8)
O30.0282 (8)0.0570 (11)0.0526 (10)0.0190 (8)0.0038 (7)0.0047 (8)
O40.0451 (10)0.0547 (10)0.0328 (8)0.0276 (8)0.0114 (7)0.0118 (7)
O50.0317 (9)0.0380 (9)0.0558 (10)0.0016 (7)0.0018 (7)0.0058 (8)
C10.0246 (9)0.0265 (10)0.0305 (9)0.0095 (7)0.0078 (8)0.0086 (8)
C20.0238 (9)0.0296 (10)0.0299 (9)0.0072 (8)0.0074 (7)0.0147 (8)
C30.0306 (11)0.0291 (11)0.0454 (12)0.0065 (8)0.0051 (9)0.0122 (9)
C40.0414 (13)0.0494 (14)0.0414 (12)0.0219 (11)0.0124 (10)0.0078 (11)
C50.0595 (17)0.078 (2)0.0342 (12)0.0364 (15)0.0134 (12)0.0131 (13)
C60.0334 (12)0.0545 (15)0.0339 (11)0.0177 (11)−0.0002 (9)0.0042 (10)
C70.0254 (10)0.0361 (11)0.0298 (9)0.0104 (8)0.0068 (8)0.0144 (8)
C80.0291 (10)0.0288 (10)0.0385 (11)0.0101 (8)0.0113 (8)0.0163 (9)
C90.0457 (13)0.0340 (12)0.0401 (12)0.0102 (10)0.0141 (10)0.0130 (10)
C100.0549 (15)0.0436 (14)0.0423 (13)0.0054 (11)0.0162 (11)0.0212 (11)
C110.0589 (16)0.0339 (13)0.0485 (14)−0.0002 (11)0.0099 (12)0.0214 (11)
C120.0507 (14)0.0261 (11)0.0401 (12)0.0038 (10)0.0052 (10)0.0115 (9)
C130.0264 (10)0.0273 (10)0.0334 (10)0.0066 (8)0.0009 (8)0.0117 (8)
C140.0283 (10)0.0273 (10)0.0324 (10)0.0087 (8)0.0017 (8)0.0110 (8)
C150.0475 (13)0.0276 (11)0.0396 (12)0.0107 (9)0.0082 (10)0.0091 (9)
C160.0561 (16)0.0411 (14)0.0384 (12)0.0153 (11)0.0118 (11)0.0058 (10)
C170.0537 (15)0.0497 (15)0.0385 (12)0.0149 (12)0.0174 (11)0.0186 (11)
C180.0489 (14)0.0344 (12)0.0436 (12)0.0112 (10)0.0156 (11)0.0183 (10)
Cd1—O12.2511 (15)C3—H3A0.9800
Cd1—O4i2.2963 (16)C4—C51.541 (4)
Cd1—N22.3285 (18)C4—H4A0.9700
Cd1—N12.3382 (17)C4—H4B0.9700
Cd1—O1ii2.4513 (15)C5—C61.534 (3)
Cd1—O3i2.4546 (17)C5—H5A0.9700
Cd1—O22.6704 (17)C5—H5B0.9700
Cd1—C8i2.720 (2)C6—C71.535 (3)
Cd1—C12.826 (2)C6—H6A0.9800
N1—C91.336 (3)C7—C81.521 (3)
N1—C131.343 (3)C7—H7A0.9800
N2—C181.341 (3)C8—Cd1iii2.720 (2)
N2—C141.341 (3)C9—C101.373 (3)
O1W—H1WA0.915 (19)C9—H9A0.9300
O1W—H1WB0.922 (19)C10—C111.377 (4)
O1—C11.275 (2)C10—H10A0.9300
O1—Cd1ii2.4513 (15)C11—C121.383 (3)
O2—C11.232 (3)C11—H11A0.9300
O3—C81.249 (3)C12—C131.381 (3)
O3—Cd1iii2.4546 (17)C12—H12A0.9300
O4—C81.252 (3)C13—C141.490 (3)
O4—Cd1iii2.2963 (16)C14—C151.395 (3)
O5—C31.438 (3)C15—C161.376 (4)
O5—C61.438 (3)C15—H15A0.9300
C1—C21.504 (3)C16—C171.380 (4)
C2—C71.540 (3)C16—H16A0.9300
C2—C31.550 (3)C17—C181.373 (3)
C2—H2A0.9800C17—H17A0.9300
C3—C41.533 (3)C18—H18A0.9300
O1—Cd1—O4i127.85 (6)C7—C2—H2A108.5
O1—Cd1—N299.82 (6)C3—C2—H2A108.5
O4i—Cd1—N2121.75 (6)O5—C3—C4102.84 (19)
O1—Cd1—N1137.35 (6)O5—C3—C2101.22 (16)
O4i—Cd1—N188.94 (6)C4—C3—C2110.98 (19)
N2—Cd1—N170.49 (6)O5—C3—H3A113.6
O1—Cd1—O1ii69.81 (6)C4—C3—H3A113.6
O4i—Cd1—O1ii84.38 (6)C2—C3—H3A113.6
N2—Cd1—O1ii83.14 (6)C3—C4—C5101.08 (19)
N1—Cd1—O1ii143.93 (6)C3—C4—H4A111.6
O1—Cd1—O3i93.72 (6)C5—C4—H4A111.6
O4i—Cd1—O3i54.58 (6)C3—C4—H4B111.6
N2—Cd1—O3i162.62 (7)C5—C4—H4B111.6
N1—Cd1—O3i92.16 (7)H4A—C4—H4B109.4
O1ii—Cd1—O3i111.97 (6)C6—C5—C4101.4 (2)
O1—Cd1—O251.77 (5)C6—C5—H5A111.5
O4i—Cd1—O2141.20 (6)C4—C5—H5A111.5
N2—Cd1—O292.73 (6)C6—C5—H5B111.5
N1—Cd1—O286.47 (5)C4—C5—H5B111.5
O1ii—Cd1—O2119.82 (5)H5A—C5—H5B109.3
O3i—Cd1—O287.10 (6)O5—C6—C5102.7 (2)
O1—Cd1—C8i112.42 (6)O5—C6—C7102.64 (18)
O4i—Cd1—C8i27.27 (6)C5—C6—C7109.6 (2)
N2—Cd1—C8i146.41 (7)O5—C6—H6A113.6
N1—Cd1—C8i90.67 (6)C5—C6—H6A113.6
O1ii—Cd1—C8i98.88 (6)C7—C6—H6A113.6
O3i—Cd1—C8i27.32 (6)C8—C7—C6114.70 (18)
O2—Cd1—C8i114.24 (6)C8—C7—C2113.22 (16)
O1—Cd1—C126.07 (5)C6—C7—C2101.20 (17)
O4i—Cd1—C1140.84 (6)C8—C7—H7A109.1
N2—Cd1—C196.88 (6)C6—C7—H7A109.1
N1—Cd1—C1111.81 (6)C2—C7—H7A109.1
O1ii—Cd1—C195.02 (5)O3—C8—O4121.56 (19)
O3i—Cd1—C190.48 (6)O3—C8—C7120.25 (19)
O2—Cd1—C125.70 (5)O4—C8—C7118.12 (18)
C8i—Cd1—C1116.18 (6)O3—C8—Cd1iii64.41 (12)
O1—Cd1—Cd1ii36.61 (4)O4—C8—Cd1iii57.15 (11)
O4i—Cd1—Cd1ii107.21 (5)C7—C8—Cd1iii174.70 (15)
N2—Cd1—Cd1ii91.35 (5)N1—C9—C10123.0 (2)
N1—Cd1—Cd1ii160.51 (4)N1—C9—H9A118.5
O1ii—Cd1—Cd1ii33.21 (4)C10—C9—H9A118.5
O3i—Cd1—Cd1ii105.99 (5)C9—C10—C11118.7 (2)
O2—Cd1—Cd1ii87.42 (3)C9—C10—H10A120.7
C8i—Cd1—Cd1ii108.70 (4)C11—C10—H10A120.7
C1—Cd1—Cd1ii62.06 (4)C10—C11—C12119.0 (2)
C9—N1—C13118.48 (19)C10—C11—H11A120.5
C9—N1—Cd1123.34 (14)C12—C11—H11A120.5
C13—N1—Cd1117.99 (14)C13—C12—C11119.3 (2)
C18—N2—C14119.07 (19)C13—C12—H12A120.4
C18—N2—Cd1122.58 (15)C11—C12—H12A120.4
C14—N2—Cd1118.11 (14)N1—C13—C12121.7 (2)
H1WA—O1W—H1WB95 (2)N1—C13—C14116.21 (18)
C1—O1—Cd1103.02 (13)C12—C13—C14122.13 (19)
C1—O1—Cd1ii143.44 (13)N2—C14—C15121.1 (2)
Cd1—O1—Cd1ii110.19 (6)N2—C14—C13116.89 (18)
C1—O2—Cd184.22 (12)C15—C14—C13121.98 (19)
C8—O3—Cd1iii88.27 (13)C16—C15—C14119.0 (2)
C8—O4—Cd1iii95.58 (13)C16—C15—H15A120.5
C3—O5—C696.14 (17)C14—C15—H15A120.5
O2—C1—O1120.98 (19)C15—C16—C17119.7 (2)
O2—C1—C2123.43 (18)C15—C16—H16A120.2
O1—C1—C2115.57 (17)C17—C16—H16A120.2
O2—C1—Cd170.08 (12)C18—C17—C16118.4 (2)
O1—C1—Cd150.91 (10)C18—C17—H17A120.8
C2—C1—Cd1166.44 (14)C16—C17—H17A120.8
C1—C2—C7117.17 (16)N2—C18—C17122.8 (2)
C1—C2—C3112.65 (16)N2—C18—H18A118.6
C7—C2—C3101.19 (16)C17—C18—H18A118.6
C1—C2—H2A108.5
O1—Cd1—N1—C9−98.43 (19)N1—Cd1—C1—O1−170.00 (12)
O4i—Cd1—N1—C953.92 (18)O1ii—Cd1—C1—O1−14.62 (16)
N2—Cd1—N1—C9178.32 (19)O3i—Cd1—C1—O197.48 (13)
O1ii—Cd1—N1—C9132.87 (17)O2—Cd1—C1—O1179.8 (2)
O3i—Cd1—N1—C9−0.57 (18)C8i—Cd1—C1—O187.84 (13)
O2—Cd1—N1—C9−87.53 (18)Cd1ii—Cd1—C1—O1−10.42 (11)
C8i—Cd1—N1—C926.71 (18)O1—Cd1—C1—C2−4.7 (5)
C1—Cd1—N1—C9−91.96 (18)O4i—Cd1—C1—C268.0 (6)
Cd1ii—Cd1—N1—C9−159.50 (14)N2—Cd1—C1—C2−103.0 (6)
O1—Cd1—N1—C1386.62 (17)N1—Cd1—C1—C2−174.7 (5)
O4i—Cd1—N1—C13−121.02 (15)O1ii—Cd1—C1—C2−19.3 (6)
N2—Cd1—N1—C133.37 (14)O3i—Cd1—C1—C292.8 (6)
O1ii—Cd1—N1—C13−42.07 (19)O2—Cd1—C1—C2175.1 (6)
O3i—Cd1—N1—C13−175.52 (15)C8i—Cd1—C1—C283.2 (6)
O2—Cd1—N1—C1397.52 (15)Cd1ii—Cd1—C1—C2−15.1 (5)
C8i—Cd1—N1—C13−148.23 (15)O2—C1—C2—C7−4.4 (3)
C1—Cd1—N1—C1393.09 (15)O1—C1—C2—C7177.14 (17)
Cd1ii—Cd1—N1—C1325.6 (2)Cd1—C1—C2—C7−178.8 (5)
O1—Cd1—N2—C1837.44 (19)O2—C1—C2—C3112.4 (2)
O4i—Cd1—N2—C18−109.65 (19)O1—C1—C2—C3−66.1 (2)
N1—Cd1—N2—C18174.4 (2)Cd1—C1—C2—C3−62.1 (6)
O1ii—Cd1—N2—C18−30.63 (18)C6—O5—C3—C4−56.7 (2)
O3i—Cd1—N2—C18178.09 (18)C6—O5—C3—C258.15 (19)
O2—Cd1—N2—C1889.09 (18)C1—C2—C3—O5−162.72 (17)
C8i—Cd1—N2—C18−126.37 (18)C7—C2—C3—O5−36.8 (2)
C1—Cd1—N2—C1863.63 (19)C1—C2—C3—C4−54.1 (2)
Cd1ii—Cd1—N2—C181.61 (18)C7—C2—C3—C471.8 (2)
O1—Cd1—N2—C14−136.90 (15)O5—C3—C4—C534.9 (2)
O4i—Cd1—N2—C1476.02 (16)C2—C3—C4—C5−72.7 (2)
N1—Cd1—N2—C140.04 (14)C3—C4—C5—C6−0.3 (3)
O1ii—Cd1—N2—C14155.04 (16)C3—O5—C6—C556.3 (2)
O3i—Cd1—N2—C143.8 (3)C3—O5—C6—C7−57.48 (19)
O2—Cd1—N2—C14−85.25 (15)C4—C5—C6—O5−34.4 (3)
C8i—Cd1—N2—C1459.3 (2)C4—C5—C6—C774.2 (3)
C1—Cd1—N2—C14−110.71 (15)O5—C6—C7—C8−88.6 (2)
Cd1ii—Cd1—N2—C14−172.72 (15)C5—C6—C7—C8162.76 (19)
O4i—Cd1—O1—C1−130.25 (12)O5—C6—C7—C233.6 (2)
N2—Cd1—O1—C185.57 (13)C5—C6—C7—C2−75.0 (2)
N1—Cd1—O1—C113.77 (17)C1—C2—C7—C8−111.9 (2)
O1ii—Cd1—O1—C1164.46 (17)C3—C2—C7—C8125.18 (18)
O3i—Cd1—O1—C1−83.48 (13)C1—C2—C7—C6124.80 (19)
O2—Cd1—O1—C1−0.13 (11)C3—C2—C7—C61.9 (2)
C8i—Cd1—O1—C1−104.04 (13)Cd1iii—O3—C8—O4−0.2 (2)
Cd1ii—Cd1—O1—C1164.46 (17)Cd1iii—O3—C8—C7−177.16 (17)
O4i—Cd1—O1—Cd1ii65.30 (9)Cd1iii—O4—C8—O30.2 (2)
N2—Cd1—O1—Cd1ii−78.88 (7)Cd1iii—O4—C8—C7177.23 (16)
N1—Cd1—O1—Cd1ii−150.68 (7)C6—C7—C8—O3−31.7 (3)
O1ii—Cd1—O1—Cd1ii0.0C2—C7—C8—O3−147.1 (2)
O3i—Cd1—O1—Cd1ii112.06 (7)C6—C7—C8—O4151.3 (2)
O2—Cd1—O1—Cd1ii−164.59 (10)C2—C7—C8—O435.8 (3)
C8i—Cd1—O1—Cd1ii91.51 (8)C13—N1—C9—C100.4 (4)
C1—Cd1—O1—Cd1ii−164.46 (17)Cd1—N1—C9—C10−174.6 (2)
O1—Cd1—O2—C10.13 (12)N1—C9—C10—C110.4 (4)
O4i—Cd1—O2—C1105.62 (14)C9—C10—C11—C12−0.9 (4)
N2—Cd1—O2—C1−100.23 (13)C10—C11—C12—C130.7 (4)
N1—Cd1—O2—C1−170.48 (13)C9—N1—C13—C12−0.6 (3)
O1ii—Cd1—O2—C1−16.58 (15)Cd1—N1—C13—C12174.62 (17)
O3i—Cd1—O2—C197.17 (13)C9—N1—C13—C14178.72 (19)
C8i—Cd1—O2—C1100.38 (13)Cd1—N1—C13—C14−6.1 (2)
Cd1ii—Cd1—O2—C1−9.00 (12)C11—C12—C13—N10.1 (4)
Cd1—O2—C1—O1−0.22 (19)C11—C12—C13—C14−179.2 (2)
Cd1—O2—C1—C2−178.62 (18)C18—N2—C14—C151.2 (3)
Cd1—O1—C1—O20.3 (2)Cd1—N2—C14—C15175.77 (16)
Cd1ii—O1—C1—O2155.28 (18)C18—N2—C14—C13−177.6 (2)
Cd1—O1—C1—C2178.79 (13)Cd1—N2—C14—C13−3.1 (2)
Cd1ii—O1—C1—C2−26.2 (3)N1—C13—C14—N26.1 (3)
Cd1ii—O1—C1—Cd1155.0 (3)C12—C13—C14—N2−174.6 (2)
O1—Cd1—C1—O2−179.8 (2)N1—C13—C14—C15−172.8 (2)
O4i—Cd1—C1—O2−107.13 (14)C12—C13—C14—C156.5 (3)
N2—Cd1—C1—O281.94 (13)N2—C14—C15—C16−1.1 (3)
N1—Cd1—C1—O210.24 (14)C13—C14—C15—C16177.7 (2)
O1ii—Cd1—C1—O2165.61 (13)C14—C15—C16—C17−0.2 (4)
O3i—Cd1—C1—O2−82.28 (13)C15—C16—C17—C181.2 (4)
C8i—Cd1—C1—O2−91.92 (13)C14—N2—C18—C17−0.1 (4)
Cd1ii—Cd1—C1—O2169.82 (14)Cd1—N2—C18—C17−174.43 (19)
O4i—Cd1—C1—O172.63 (16)C16—C17—C18—N2−1.1 (4)
N2—Cd1—C1—O1−98.30 (13)
D—H···AD—HH···AD···AD—H···A
O1W—H1WA···O3iv0.92 (2)2.19 (4)2.980 (4)144 (5)
O1W—H1WA···O1Wv0.92 (2)2.38 (6)2.833 (8)110 (5)
Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯AD—HH⋯AD⋯AD—H⋯A
O1W—H1WA⋯O3i0.92 (2)2.19 (4)2.980 (4)144 (5)
O1W—H1WA⋯O1Wii0.92 (2)2.38 (6)2.833 (8)110 (5)

Symmetry codes: (i) ; (ii) .

  3 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.  Poly[bis-(1H-imidazole)(μ(3)-7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato)cadmium(II)].

Authors:  Na Wang; Yan-Jun Wang; Qiu-Yue Lin
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2009-06-17

Review 3.  Medical uses of mylabris in ancient China and recent studies.

Authors:  G S Wang
Journal:  J Ethnopharmacol       Date:  1989-09       Impact factor: 4.360
  3 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.