Literature DB >> 22590125

catena-Poly[[[aqua-(pyrazine-2-carboxamide-κ(2)N(1),O)zinc]-μ-pyrazine-2-carboxamide-κ(3)N(1),O:N(4)] dinitrate].

Sadif A Shirvan1, Sara Haydari Dezfuli.   

Abstract

In the crystal of the title compound, {[Zn(C(5)H(5)N(3)O)(2)(H(2)O)](NO(3))(2)}(n), the Zn(II) cation is N,O-chelated by two pyrazine-2-carboxamide (PCA) ligands and is further coordinated by one water mol-ecule and by one pyrazine-N atom from an adjacent PCA ligand in a distorted ZnN(3)O(3) octa-hedral geometry. One of the two independent PCA ligands bridges two Zn(II) cations, forming a zigzag polymeric chain running along the c axis. In the crystal, the NO(3) (-) anions link to the chain via O-H⋯O and N-H⋯O hydrogen bonding. Weak inter-molecular C-H⋯O inter-actions also occur.

Entities:  

Year:  2012        PMID： 22590125      PMCID： PMC3344359          DOI： 10.1107/S1600536812016017

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


Related literature

For related structures, see: Shirvan & Haydari Dezfuli (2012 ▶); Abu-Youssef et al. (2006 ▶); Azhdari Tehrani et al. (2010 ▶); Goher & Mautner (2000 ▶); Kristiansson (2002 ▶); Mir Mohammad Sadegh et al. (2010 ▶); Munakata et al. (1997 ▶); Pacigova et al. (2008 ▶).

Experimental

Crystal data

[Zn(C5H5N3O)2(H2O)](NO3)2 M = 453.67 Monoclinic, a = 10.4889 (11) Å b = 15.7477 (16) Å c = 9.9332 (10) Å β = 97.664 (8)° V = 1626.1 (3) Å3 Z = 4 Mo Kα radiation μ = 1.58 mm−1 T = 298 K 0.23 × 0.12 × 0.10 mm

Data collection

Bruker APEXII CCD area detector diffractometer Absorption correction: multi-scan (SADABS; Bruker, 2001 ▶) T min = 0.070, T max = 0.240 9288 measured reflections 3192 independent reflections 2088 reflections with I > 2σ(I) R int = 0.123

Refinement

R[F 2 > 2σ(F 2)] = 0.076 wR(F 2) = 0.103 S = 1.06 3192 reflections 261 parameters H atoms treated by a mixture of independent and constrained refinement Δρmax = 0.46 e Å−3 Δρmin = −0.52 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. Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536812016017/xu5508sup1.cif Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812016017/xu5508Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Zn(C5H5N3O)2(H2O)](NO3)2F(000) = 920
Mr = 453.67Dx = 1.853 Mg m−3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 9288 reflections
a = 10.4889 (11) Åθ = 2.4–26.0°
b = 15.7477 (16) ŵ = 1.58 mm−1
c = 9.9332 (10) ÅT = 298 K
β = 97.664 (8)°Block, colorless
V = 1626.1 (3) Å30.23 × 0.12 × 0.10 mm
Z = 4
Bruker APEXII CCD area detector diffractometer3192 independent reflections
Radiation source: fine-focus sealed tube2088 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.123
ω scansθmax = 26.0°, θmin = 2.4°
Absorption correction: multi-scan (SADABS; Bruker, 2001)h = −12→12
Tmin = 0.070, Tmax = 0.240k = −19→19
9288 measured reflectionsl = −12→11
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.076Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.103H atoms treated by a mixture of independent and constrained refinement
S = 1.06w = 1/[σ2(Fo2) + (0.0237P)2] where P = (Fo2 + 2Fc2)/3
3192 reflections(Δ/σ)max = 0.006
261 parametersΔρmax = 0.46 e Å−3
0 restraintsΔρmin = −0.52 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
C10.7871 (6)0.4587 (4)0.1320 (7)0.0329 (15)
H10.87480.47010.14170.039*
C20.7334 (6)0.4048 (5)0.0291 (7)0.0445 (17)
H20.78590.3819−0.03000.053*
C30.5393 (6)0.4184 (4)0.1012 (7)0.0387 (16)
H30.45260.40430.09460.046*
C40.5906 (5)0.4738 (3)0.2038 (6)0.0210 (12)
C50.5169 (5)0.5161 (3)0.3017 (6)0.0237 (13)
C60.6418 (5)0.7234 (4)0.1580 (7)0.0248 (14)
H60.56240.70480.17820.030*
C70.6463 (5)0.7868 (4)0.0610 (7)0.0292 (15)
H70.56990.80840.01540.035*
C80.8651 (5)0.7831 (3)0.0990 (6)0.0240 (14)
H80.94450.80330.08140.029*
C90.8615 (5)0.7189 (3)0.1932 (6)0.0189 (12)
C100.9758 (5)0.6759 (3)0.2712 (6)0.0207 (13)
N10.7158 (4)0.4940 (3)0.2159 (5)0.0246 (12)
N20.6089 (5)0.3848 (4)0.0128 (6)0.0483 (16)
N30.3939 (5)0.5002 (3)0.3014 (6)0.0366 (14)
H3D0.35150.52640.35710.044*
H3E0.35580.46370.24540.044*
N40.7479 (4)0.6893 (3)0.2219 (5)0.0228 (12)
N50.7584 (4)0.8170 (3)0.0325 (5)0.0225 (11)
N61.0915 (4)0.7048 (3)0.2613 (5)0.0317 (13)
H6C1.15760.68140.30710.038*
H6B1.10120.74720.20900.038*
N70.7146 (5)0.3192 (3)0.4190 (7)0.0350 (13)
N80.1273 (5)0.4024 (4)0.1241 (6)0.0361 (13)
O10.5749 (3)0.5684 (2)0.3812 (4)0.0300 (11)
O20.9561 (3)0.6152 (2)0.3448 (4)0.0252 (9)
O30.8371 (5)0.5012 (4)0.5193 (6)0.0397 (13)
H3C0.850 (7)0.456 (4)0.503 (8)0.04 (3)*
H3B0.853 (6)0.510 (4)0.595 (7)0.03 (2)*
O40.8335 (4)0.3362 (3)0.4190 (5)0.0437 (12)
O50.6640 (5)0.3426 (4)0.5181 (7)0.080 (2)
O60.6571 (5)0.2815 (4)0.3235 (6)0.0633 (16)
O70.2393 (5)0.3816 (3)0.1188 (7)0.0622 (15)
O80.1027 (5)0.4586 (4)0.2039 (6)0.0669 (17)
O90.0400 (5)0.3687 (4)0.0522 (8)0.098 (3)
Zn10.76855 (6)0.58798 (4)0.37477 (7)0.02037 (17)
U11U22U33U12U13U23
C10.021 (3)0.037 (3)0.042 (4)0.001 (3)0.007 (3)−0.005 (3)
C20.044 (4)0.049 (4)0.041 (4)0.003 (4)0.008 (3)−0.020 (4)
C30.030 (3)0.048 (4)0.038 (4)−0.012 (3)0.004 (3)−0.020 (4)
C40.020 (3)0.028 (3)0.015 (3)−0.003 (2)0.000 (2)−0.001 (3)
C50.023 (3)0.023 (3)0.025 (4)−0.003 (2)−0.001 (3)0.005 (3)
C60.018 (3)0.025 (3)0.033 (4)−0.004 (2)0.007 (3)0.006 (3)
C70.013 (3)0.035 (4)0.039 (4)0.001 (2)0.001 (3)0.003 (3)
C80.021 (3)0.019 (3)0.033 (4)0.001 (2)0.007 (3)−0.001 (3)
C90.017 (3)0.020 (3)0.018 (3)−0.002 (2)0.001 (2)−0.001 (2)
C100.022 (3)0.021 (3)0.020 (3)0.003 (2)0.004 (2)−0.004 (3)
N10.021 (2)0.030 (3)0.023 (3)−0.001 (2)0.003 (2)0.003 (2)
N20.038 (3)0.060 (4)0.046 (4)−0.004 (3)0.003 (3)−0.021 (3)
N30.023 (3)0.052 (3)0.035 (4)−0.004 (2)0.009 (2)−0.011 (3)
N40.020 (2)0.020 (3)0.029 (3)0.000 (2)0.006 (2)0.003 (2)
N50.022 (2)0.024 (2)0.021 (3)0.005 (2)0.004 (2)−0.002 (2)
N60.015 (2)0.039 (3)0.041 (4)0.001 (2)0.003 (2)0.017 (3)
N70.027 (3)0.025 (3)0.053 (4)0.002 (2)0.004 (3)−0.004 (3)
N80.030 (3)0.035 (3)0.042 (4)0.003 (3)0.002 (3)0.001 (3)
O10.022 (2)0.034 (3)0.035 (3)−0.0099 (18)0.0051 (19)−0.017 (2)
O20.020 (2)0.025 (2)0.031 (3)0.0002 (16)0.0029 (18)0.0098 (18)
O30.053 (3)0.034 (3)0.030 (4)0.009 (3)0.000 (3)0.005 (3)
O40.024 (2)0.052 (3)0.056 (4)0.001 (2)0.007 (2)−0.017 (3)
O50.063 (4)0.087 (4)0.103 (5)−0.015 (3)0.057 (4)−0.041 (4)
O60.045 (3)0.077 (4)0.063 (4)−0.022 (3)−0.009 (3)−0.006 (3)
O70.028 (3)0.065 (3)0.094 (4)−0.006 (3)0.010 (3)−0.022 (3)
O80.052 (3)0.088 (4)0.056 (4)0.018 (3)−0.009 (3)−0.039 (3)
O90.026 (3)0.135 (6)0.127 (6)0.003 (3)−0.007 (3)−0.092 (5)
Zn10.0182 (3)0.0208 (3)0.0216 (3)−0.0026 (3)0.0009 (2)−0.0004 (4)
Zn1—O12.064 (3)N4—C91.345 (7)
Zn1—O22.073 (3)N4—C61.320 (7)
Zn1—O32.042 (6)N5—C81.333 (7)
Zn1—N12.180 (5)N5—C71.333 (7)
Zn1—N42.193 (5)N6—C101.312 (7)
Zn1—N5i2.179 (5)N3—H3E0.8600
O1—C51.243 (6)N3—H3D0.8600
O2—C101.237 (6)N6—H6B0.8600
O3—H3B0.76 (7)N6—H6C0.8600
O3—H3C0.75 (6)C1—C21.389 (10)
O4—N71.276 (7)C3—C41.394 (9)
O5—N71.235 (9)C4—C51.479 (8)
O6—N71.210 (9)C6—C71.393 (9)
O7—N81.227 (8)C8—C91.382 (7)
O8—N81.238 (9)C9—C101.500 (8)
O9—N81.207 (9)C1—H10.9300
N1—C41.341 (7)C2—H20.9300
N1—C11.315 (8)C3—H30.9300
N2—C21.332 (8)C6—H60.9300
N2—C31.325 (9)C7—H70.9300
N3—C51.314 (7)C8—H80.9300
Zn1···H3Dii3.5800N4···C102.385 (7)
O1···O33.092 (6)N4···N5i3.074 (7)
O1···N12.627 (6)N5···N4viii3.074 (7)
O1···N43.192 (6)N5···O3viii2.987 (8)
O1···C42.330 (7)N5···O1viii2.907 (6)
O1···O5ii3.148 (7)N5···N42.766 (7)
O1···N5i2.907 (6)N5···O2viii3.154 (6)
O1···C7i2.932 (7)N6···O6ix3.117 (7)
O2···C92.350 (6)N6···O4ix2.913 (7)
O2···O32.892 (7)N6···O4iii3.233 (7)
O2···N42.629 (6)N6···O5iii3.231 (8)
O2···C8i3.240 (7)N7···C43.383 (8)
O2···O3iii3.018 (7)N7···O33.243 (8)
O2···O4iii3.095 (6)N8···C8v3.323 (8)
O2···N5i3.154 (6)N8···C9v3.406 (8)
O3···N13.113 (8)N2···H6vii2.8100
O3···O53.087 (8)N3···H3Bii2.92 (6)
O3···N5i2.987 (8)N3···H32.6900
O3···O2iii3.018 (7)N5···H3Bviii2.94 (6)
O3···O13.092 (6)N6···H82.6900
O3···O22.892 (7)N7···H6Ciii2.8700
O3···O42.781 (8)N7···H3C2.65 (7)
O3···O8ii2.810 (8)N7···H6Biv2.7000
O3···N73.243 (8)N8···H1vi2.8800
O3···N3ii3.193 (8)N8···H3E2.7100
O4···O32.781 (8)C1···O9x3.199 (9)
O4···C8iv3.298 (7)C1···O8x3.292 (8)
O4···N6iii3.233 (7)C2···O9x3.244 (8)
O4···O2iii3.095 (6)C3···O63.213 (9)
O4···N6iv2.913 (7)C3···O73.227 (8)
O5···C7v3.362 (8)C3···C4vii3.580 (9)
O5···N6iii3.231 (8)C3···C3vii3.299 (9)
O5···N3ii3.163 (8)C4···C3vii3.580 (9)
O5···O1ii3.148 (7)C4···O63.294 (8)
O5···O33.087 (8)C4···N73.383 (8)
O6···N6iv3.117 (7)C6···N2vii3.392 (8)
O6···C43.294 (8)C6···O6xi3.295 (8)
O6···C33.213 (9)C7···O5xi3.362 (8)
O6···C6v3.295 (8)C8···N8xi3.323 (8)
O7···C33.227 (8)C8···O9vii3.059 (8)
O7···N32.937 (8)C8···O8xi3.378 (8)
O8···C8v3.378 (8)C8···O4ix3.298 (7)
O8···C1vi3.292 (8)C9···N8xi3.406 (8)
O8···N33.148 (8)C9···O9vii3.096 (9)
O8···O3ii2.810 (8)C10···O9vii3.271 (10)
O9···C9vii3.096 (9)C3···H3E2.6500
O9···C2vi3.244 (8)C8···H6B2.6300
O9···C8vii3.059 (8)H1···O8x2.3900
O9···C1vi3.199 (9)H1···O9x2.6000
O9···C10vii3.271 (10)H1···N8x2.8800
O1···H7i2.3600H2···O9x2.6900
O2···H3Ciii2.62 (7)H3···N32.6900
O2···H3Biii2.82 (6)H3···H3E2.1300
O2···H8i2.6900H3···O72.3100
O3···H3Dii2.5000H3B···O2iii2.82 (6)
O4···H3C2.06 (7)H3B···H3Dii2.3300
O4···H6Ciii2.7200H3B···O8ii2.05 (7)
O4···H6Biv2.0700H3B···N3ii2.92 (6)
O4···H8iv2.3900H3C···O52.66 (7)
O5···H3C2.66 (7)H3C···O42.06 (7)
O5···H6Ciii2.4100H3C···N72.65 (7)
O5···H7v2.4900H3C···O2iii2.62 (7)
O5···H3Dii2.4200H3D···Zn1ii3.5800
O6···H6v2.6000H3D···H3Bii2.3300
O6···H6Biv2.6500H3D···O3ii2.5000
O7···H32.3100H3D···O5ii2.4200
O7···H3E2.0800H3E···O72.0800
O8···H3E2.6300H3E···O82.6300
O8···H1vi2.3900H3E···N82.7100
O8···H3Bii2.05 (7)H3E···C32.6500
O9···H2vi2.6900H3E···H32.1300
O9···H1vi2.6000H6···N2vii2.8100
N1···C52.382 (7)H6···O6xi2.6000
N1···O12.627 (6)H6B···O6ix2.6500
N1···N22.772 (8)H6B···O4ix2.0700
N1···N43.094 (7)H6B···N7ix2.7000
N1···O33.113 (8)H6B···H82.1300
N2···N12.772 (8)H6B···C82.6300
N2···C6vii3.392 (8)H6C···O5iii2.4100
N3···O5ii3.163 (8)H6C···O4iii2.7200
N3···O72.937 (8)H6C···N7iii2.8700
N3···O3ii3.193 (8)H7···O5xi2.4900
N3···O83.148 (8)H7···O1viii2.3600
N4···N13.094 (7)H8···O4ix2.3900
N4···O13.192 (6)H8···O2viii2.6900
N4···O22.629 (6)H8···N62.6900
N4···N52.766 (7)H8···H6B2.1300
O1—Zn1—O2172.71 (15)O4—N7—O5117.5 (6)
O1—Zn1—O397.70 (18)O4—N7—O6119.2 (6)
O1—Zn1—N176.42 (15)O5—N7—O6123.3 (6)
O1—Zn1—N497.09 (15)O8—N8—O9119.1 (6)
O1—Zn1—N5i86.43 (15)O7—N8—O8120.0 (6)
O2—Zn1—O389.28 (18)O7—N8—O9120.8 (6)
O2—Zn1—N1100.98 (15)N1—C1—C2121.0 (6)
O2—Zn1—N476.01 (15)N2—C2—C1121.9 (6)
O2—Zn1—N5i95.71 (15)N2—C3—C4122.8 (6)
O3—Zn1—N194.9 (2)C3—C4—C5125.3 (5)
O3—Zn1—N4165.13 (19)N1—C4—C5115.2 (5)
O3—Zn1—N5i90.0 (2)N1—C4—C3119.5 (5)
N1—Zn1—N490.03 (18)O1—C5—C4117.5 (5)
N1—Zn1—N5i162.62 (16)O1—C5—N3121.7 (5)
N4—Zn1—N5i89.34 (18)N3—C5—C4120.8 (5)
Zn1—O1—C5118.7 (3)N4—C6—C7121.4 (5)
Zn1—O2—C10118.8 (3)N5—C7—C6121.0 (5)
H3B—O3—H3C112 (8)N5—C8—C9122.1 (5)
Zn1—O3—H3C123 (6)C8—C9—C10126.0 (5)
Zn1—O3—H3B126 (5)N4—C9—C10113.8 (5)
C1—N1—C4118.4 (5)N4—C9—C8120.2 (5)
Zn1—N1—C4112.1 (4)O2—C10—C9118.0 (5)
Zn1—N1—C1129.4 (4)N6—C10—C9119.2 (5)
C2—N2—C3116.3 (6)O2—C10—N6122.8 (5)
Zn1—N4—C6128.9 (4)C2—C1—H1120.00
Zn1—N4—C9113.0 (3)N1—C1—H1119.00
C6—N4—C9118.1 (5)N2—C2—H2119.00
Zn1viii—N5—C8120.9 (4)C1—C2—H2119.00
C7—N5—C8117.3 (5)N2—C3—H3119.00
Zn1viii—N5—C7121.8 (4)C4—C3—H3119.00
C5—N3—H3E120.00C7—C6—H6119.00
H3D—N3—H3E120.00N4—C6—H6119.00
C5—N3—H3D120.00N5—C7—H7120.00
C10—N6—H6B120.00C6—C7—H7119.00
C10—N6—H6C120.00C9—C8—H8119.00
H6B—N6—H6C120.00N5—C8—H8119.00
O3—Zn1—O1—C5−92.4 (4)Zn1—O2—C10—N6170.5 (4)
N1—Zn1—O1—C50.9 (4)Zn1—O2—C10—C9−8.1 (6)
N4—Zn1—O1—C589.2 (4)Zn1—N1—C4—C5−2.1 (6)
N5i—Zn1—O1—C5178.1 (4)C1—N1—C4—C3−1.8 (8)
O3—Zn1—O2—C10−171.7 (4)C4—N1—C1—C23.0 (9)
N1—Zn1—O2—C1093.4 (4)Zn1—N1—C4—C3176.1 (4)
N4—Zn1—O2—C106.2 (4)Zn1—N1—C1—C2−174.5 (5)
N5i—Zn1—O2—C10−81.7 (4)C1—N1—C4—C5−180.0 (5)
O1—Zn1—N1—C1178.4 (6)C2—N2—C3—C41.9 (10)
O2—Zn1—N1—C15.4 (6)C3—N2—C2—C1−0.8 (10)
O3—Zn1—N1—C1−84.9 (5)Zn1—N4—C9—C8−179.9 (4)
N4—Zn1—N1—C181.1 (5)Zn1—N4—C6—C7−178.8 (5)
O1—Zn1—N1—C40.8 (4)C6—N4—C9—C10−180.0 (5)
O2—Zn1—N1—C4−172.3 (4)Zn1—N4—C9—C100.3 (6)
O3—Zn1—N1—C497.5 (4)C6—N4—C9—C8−0.1 (8)
N4—Zn1—N1—C4−96.5 (4)C9—N4—C6—C71.6 (9)
O1—Zn1—N4—C6−0.4 (5)C8—N5—C7—C61.0 (9)
O2—Zn1—N4—C6177.3 (6)Zn1viii—N5—C7—C6177.2 (5)
N1—Zn1—N4—C676.0 (5)Zn1viii—N5—C8—C9−175.8 (4)
N5i—Zn1—N4—C6−86.7 (5)C7—N5—C8—C90.4 (8)
O1—Zn1—N4—C9179.3 (4)N1—C1—C2—N2−1.7 (11)
O2—Zn1—N4—C9−3.0 (4)N2—C3—C4—C5177.3 (6)
N1—Zn1—N4—C9−104.3 (4)N2—C3—C4—N1−0.7 (9)
N5i—Zn1—N4—C993.0 (4)N1—C4—C5—N3−178.8 (5)
O1viii—Zn1viii—N5—C714.9 (5)N1—C4—C5—O13.0 (7)
O2viii—Zn1viii—N5—C7−158.1 (5)C3—C4—C5—N33.2 (9)
O3viii—Zn1viii—N5—C7112.6 (5)C3—C4—C5—O1−175.1 (5)
N4viii—Zn1viii—N5—C7−82.2 (5)N4—C6—C7—N5−2.1 (10)
O1viii—Zn1viii—N5—C8−169.1 (4)N5—C8—C9—N4−0.9 (8)
O2viii—Zn1viii—N5—C817.9 (4)N5—C8—C9—C10178.9 (5)
O3viii—Zn1viii—N5—C8−71.4 (4)N4—C9—C10—O25.0 (7)
N4viii—Zn1viii—N5—C893.8 (4)C8—C9—C10—N66.5 (8)
Zn1—O1—C5—N3179.4 (4)N4—C9—C10—N6−173.6 (5)
Zn1—O1—C5—C4−2.3 (6)C8—C9—C10—O2−174.9 (5)
D—H···AD—HH···AD···AD—H···A
O3—H3B···O8ii0.76 (7)2.05 (7)2.810 (8)177 (7)
O3—H3C···O40.75 (6)2.06 (7)2.781 (8)162 (9)
N3—H3D···O3ii0.862.503.193 (8)138
N3—H3D···O5ii0.862.423.163 (8)144
N3—H3E···O70.862.082.937 (8)172
N6—H6B···O4ix0.862.072.913 (7)166
N6—H6C···O5iii0.862.413.231 (8)161
C1—H1···O8x0.932.393.292 (8)162
C3—H3···O70.932.313.227 (8)169
C6—H6···O6xi0.932.603.295 (8)132
C7—H7···O5xi0.932.493.362 (8)156
C8—H8···O4ix0.932.393.298 (7)167
Table 1

Selected bond lengths (Å)

Zn1—O12.064 (3)
Zn1—O22.073 (3)
Zn1—O32.042 (6)
Zn1—N12.180 (5)
Zn1—N42.193 (5)
Zn1—N5i2.179 (5)

Symmetry code: (i) .

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯AD—HH⋯AD⋯AD—H⋯A
O3—H3B⋯O8ii0.76 (7)2.05 (7)2.810 (8)177 (7)
O3—H3C⋯O40.75 (6)2.06 (7)2.781 (8)162 (9)
N3—H3D⋯O3ii0.862.503.193 (8)138
N3—H3D⋯O5ii0.862.423.163 (8)144
N3—H3E⋯O70.862.082.937 (8)172
N6—H6B⋯O4iii0.862.072.913 (7)166
N6—H6C⋯O5iv0.862.413.231 (8)161
C1—H1⋯O8v0.932.393.292 (8)162
C3—H3⋯O70.932.313.227 (8)169
C6—H6⋯O6vi0.932.603.295 (8)132
C7—H7⋯O5vi0.932.493.362 (8)156
C8—H8⋯O4iii0.932.393.298 (7)167

Symmetry codes: (ii) ; (iii) ; (iv) ; (v) ; (vi) .

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

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Journal:  Dalton Trans       Date:  2008-01-07       Impact factor: 4.390

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Authors:  Sadif A Shirvan; Sara Haydari Dezfuli
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2012-04-04

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Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2010-01-16
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Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2012-06-30

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Authors:  Sadif A Shirvan; Sara Haydari Dezfuli
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2012-07-18

3.  Antimicrobial Activity of Pyrazinamide Coordination Frameworks Synthesized by Mechanochemistry.

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