| Literature DB >> 22589823 |
Xia Yin1, Jun Fan, Jingling Xin, Shengrun Zheng, Weiguang Zhang.
Abstract
The title compound, {[Co(3)(C(6)H(4)NO(2))(2)(C(8)H(3)NO(6))(2)(H(2)O)(2)]·4H(2)O}(n), exhibits a two-dimensional layer-like structure in which the Co(II) ions exhibit two kinds of coordination geometries. One nearly octa-hedral Co(II) ion with crystallographic inversion symmetry is coordinated to six carboxyl-ate O atoms from four bridging 5-nitro-isophthalate (NIPH) ligands and two isonicotinate (IN) anions, while the other type of Co(II) ion binds with one N atom and one carboxyl-ate O atom from two IN anions, two carboxyl-ate O atoms from two different NIPH anions and one ligated water mol-ecule, displaying a distorted square-pyramidal coordination geometry. Three adjacent Co(II) ions are bridged by six carboxyl-ate groups from four NIPH ligands and two IN anions to form a linear trinuclear secondary building unit (SBU). Every trinuclear SBU is linked to its nearest neighbours in the ab plane, resulting in a two-dimensional layer-like structure perpendicular to the c axis. Along the a-axis direction neighbouring mol-ecules are connected through carboxyl-ate and pyridyl units of the IN anions, along the b axis through carboxyl-ate groups of the NIPH ligands. The H atoms of one free water mol-ecule are disordered in the crystal in a 1:1 ratio. Typical O-H⋯O hydrogen bonds are observed in the lattice, which include the following contacts: (a) between coordinated water mol-ecules and carboxyl-ate O atoms of the NIPH anions, (b) between lattice water mol-ecules and carboxyl-ate O atoms of the NIPH anions, and (c) between coordinated and lattice water mol-ecules. These inter-molecular hydrogen bonds connect the two-dimensional layers to form a three-dimensional supra-molecular structure.Entities:
Year: 2012 PMID: 22589823 PMCID: PMC3343849 DOI: 10.1107/S1600536812011269
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Co3(C6H4NO2)2(C8H3NO6)2(H2O)2]·4H2O | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 3665 reflections | |
| θ = 2.0–27.9° | |
| µ = 1.57 mm−1 | |
| α = 78.74 (3)° | |
| β = 88.64 (3)° | Block, pink |
| γ = 73.68 (3)° | 0.35 × 0.28 × 0.16 mm |
| Bruker SMART APEXII CCD area-detector diffractometer | 2976 independent reflections |
| Radiation source: fine-focus sealed tube | 2667 reflections with |
| Graphite monochromator | |
| φ and ω scan | θmax = 25.3°, θmin = 2.0° |
| Absorption correction: multi-scan ( | |
| 4357 measured reflections |
| Refinement on | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| Hydrogen site location: inferred from neighbouring sites | |
| H atoms treated by a mixture of independent and constrained refinement | |
| 2976 reflections | (Δ/σ)max = 0.001 |
| 271 parameters | Δρmax = 0.40 e Å−3 |
| 10 restraints | Δρmin = −0.40 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 |
| Occ. (<1) | |||||
| C1 | −0.1582 (2) | 0.6886 (2) | 0.7129 (2) | 0.0192 (5) | |
| C2 | −0.1920 (3) | 0.8433 (2) | 0.6267 (2) | 0.0193 (5) | |
| C3 | −0.2761 (3) | 0.8738 (2) | 0.5103 (2) | 0.0215 (5) | |
| H3 | −0.3109 | 0.7991 | 0.4846 | 0.026* | |
| C4 | −0.3067 (3) | 1.0182 (3) | 0.4336 (2) | 0.0226 (5) | |
| C5 | −0.2494 (3) | 1.1290 (3) | 0.4646 (2) | 0.0241 (5) | |
| H5 | −0.2671 | 1.2232 | 0.4086 | 0.029* | |
| C6 | −0.1647 (3) | 1.0974 (2) | 0.5811 (2) | 0.0194 (5) | |
| C7 | −0.1408 (3) | 0.9561 (2) | 0.6638 (2) | 0.0212 (5) | |
| H7 | −0.0902 | 0.9370 | 0.7445 | 0.025* | |
| C9 | 0.2058 (2) | 0.3927 (2) | 0.7504 (2) | 0.0201 (5) | |
| C10 | 0.3646 (2) | 0.3974 (2) | 0.7775 (2) | 0.0201 (5) | |
| C11 | 0.4307 (3) | 0.3616 (3) | 0.9022 (2) | 0.0302 (6) | |
| H11 | 0.3769 | 0.3339 | 0.9753 | 0.036* | |
| C12 | 0.5780 (3) | 0.3674 (3) | 0.9166 (2) | 0.0291 (5) | |
| H12 | 0.6227 | 0.3388 | 1.0005 | 0.035* | |
| C13 | 0.5920 (3) | 0.4501 (3) | 0.6972 (2) | 0.0320 (6) | |
| H13 | 0.6454 | 0.4836 | 0.6259 | 0.038* | |
| C14 | 0.4490 (3) | 0.4422 (3) | 0.6743 (2) | 0.0313 (6) | |
| H14 | 0.4085 | 0.4672 | 0.5889 | 0.038* | |
| C8 | −0.1022 (2) | 1.2189 (2) | 0.6151 (2) | 0.0202 (5) | |
| Co1 | 0.0000 | 0.5000 | 0.5000 | 0.01527 (11) | |
| Co2 | −0.10352 (3) | 0.39808 (3) | 0.82492 (3) | 0.01738 (10) | |
| N2 | 0.6596 (2) | 0.4120 (2) | 0.81683 (18) | 0.0218 (4) | |
| N1 | −0.4063 (2) | 1.0548 (2) | 0.3153 (2) | 0.0297 (5) | |
| O2 | −0.1492 (2) | 0.67118 (19) | 0.83422 (16) | 0.0285 (4) | |
| O1 | −0.14157 (17) | 0.57462 (16) | 0.65704 (15) | 0.0192 (3) | |
| O6 | −0.4433 (3) | 0.9517 (2) | 0.2817 (2) | 0.0474 (5) | |
| O5 | −0.4506 (3) | 1.1871 (2) | 0.2580 (2) | 0.0484 (5) | |
| O7 | 0.11919 (18) | 0.3888 (2) | 0.84536 (16) | 0.0285 (4) | |
| O3 | −0.07060 (19) | 1.21068 (17) | 0.73447 (16) | 0.0247 (4) | |
| O4 | −0.08995 (18) | 1.31976 (17) | 0.52098 (16) | 0.0250 (4) | |
| O8 | 0.17412 (17) | 0.39430 (18) | 0.63366 (15) | 0.0231 (3) | |
| O1W | 0.8479 (2) | 0.0405 (2) | 0.1145 (2) | 0.0498 (5) | |
| H1W | 0.9262 | −0.0299 | 0.1429 | 0.075* | |
| H2W | 0.8017 | 0.0109 | 0.0599 | 0.075* | |
| O3W | −0.0897 (2) | 0.2994 (2) | 1.01711 (16) | 0.0356 (4) | |
| H5W | −0.0190 | 0.3181 | 1.0515 | 0.053* | |
| H6W | −0.1021 | 0.2183 | 1.0577 | 0.053* | |
| O2W | 0.3255 (3) | 0.0491 (3) | 0.0522 (3) | 0.0676 (7) | |
| H4WA | 0.271 (8) | 0.114 (6) | 0.094 (7) | 0.101* | 0.50 |
| H3WA | 0.386 (8) | −0.021 (7) | 0.103 (6) | 0.101* | 0.50 |
| H3WB | 0.415 (3) | −0.006 (6) | 0.038 (6) | 0.101* | 0.50 |
| H4WB | 0.344 (5) | 0.096 (5) | 0.114 (5) | 0.101* | 0.50 |
| C1 | 0.0180 (11) | 0.0210 (11) | 0.0200 (12) | −0.0090 (9) | −0.0018 (9) | −0.0017 (9) |
| C2 | 0.0203 (11) | 0.0170 (11) | 0.0211 (12) | −0.0057 (9) | 0.0012 (9) | −0.0046 (9) |
| C3 | 0.0245 (12) | 0.0198 (11) | 0.0226 (12) | −0.0085 (9) | 0.0000 (9) | −0.0067 (9) |
| C4 | 0.0246 (12) | 0.0229 (12) | 0.0205 (12) | −0.0059 (9) | −0.0043 (9) | −0.0050 (9) |
| C5 | 0.0285 (13) | 0.0181 (11) | 0.0244 (13) | −0.0068 (9) | 0.0002 (10) | −0.0009 (9) |
| C6 | 0.0226 (11) | 0.0168 (10) | 0.0212 (11) | −0.0087 (9) | 0.0018 (9) | −0.0049 (9) |
| C7 | 0.0244 (12) | 0.0227 (11) | 0.0185 (11) | −0.0095 (9) | −0.0006 (9) | −0.0044 (9) |
| C9 | 0.0164 (11) | 0.0186 (11) | 0.0247 (13) | −0.0058 (9) | −0.0022 (9) | −0.0012 (9) |
| C10 | 0.0165 (11) | 0.0222 (11) | 0.0224 (12) | −0.0059 (9) | −0.0030 (9) | −0.0047 (9) |
| C11 | 0.0256 (13) | 0.0474 (15) | 0.0193 (12) | −0.0183 (11) | −0.0009 (10) | 0.0010 (11) |
| C12 | 0.0247 (13) | 0.0447 (15) | 0.0191 (12) | −0.0142 (11) | −0.0049 (10) | −0.0017 (11) |
| C13 | 0.0258 (13) | 0.0518 (16) | 0.0201 (13) | −0.0196 (12) | 0.0000 (10) | 0.0016 (11) |
| C14 | 0.0237 (13) | 0.0541 (17) | 0.0186 (13) | −0.0191 (12) | −0.0043 (10) | −0.0003 (11) |
| C8 | 0.0164 (11) | 0.0173 (11) | 0.0274 (13) | −0.0048 (9) | −0.0008 (9) | −0.0053 (9) |
| Co1 | 0.0164 (2) | 0.0163 (2) | 0.0144 (2) | −0.00812 (16) | −0.00199 (16) | −0.00068 (16) |
| Co2 | 0.01635 (17) | 0.02053 (17) | 0.01603 (17) | −0.00834 (12) | −0.00217 (11) | −0.00047 (12) |
| N2 | 0.0185 (10) | 0.0277 (10) | 0.0205 (10) | −0.0088 (8) | −0.0011 (8) | −0.0042 (8) |
| N1 | 0.0334 (12) | 0.0289 (11) | 0.0256 (11) | −0.0078 (9) | −0.0075 (9) | −0.0031 (9) |
| O2 | 0.0386 (10) | 0.0315 (9) | 0.0176 (9) | −0.0147 (8) | −0.0028 (7) | −0.0024 (7) |
| O1 | 0.0226 (8) | 0.0158 (7) | 0.0209 (8) | −0.0086 (6) | 0.0011 (6) | −0.0028 (6) |
| O6 | 0.0637 (14) | 0.0393 (11) | 0.0429 (12) | −0.0196 (10) | −0.0279 (10) | −0.0057 (9) |
| O5 | 0.0636 (14) | 0.0314 (11) | 0.0423 (12) | −0.0081 (10) | −0.0262 (10) | 0.0072 (9) |
| O7 | 0.0183 (8) | 0.0470 (10) | 0.0226 (9) | −0.0141 (7) | −0.0003 (7) | −0.0050 (8) |
| O3 | 0.0308 (9) | 0.0209 (8) | 0.0242 (9) | −0.0095 (7) | −0.0051 (7) | −0.0048 (7) |
| O4 | 0.0319 (9) | 0.0219 (8) | 0.0254 (9) | −0.0163 (7) | −0.0005 (7) | −0.0013 (7) |
| O8 | 0.0211 (8) | 0.0282 (8) | 0.0200 (9) | −0.0062 (7) | −0.0051 (6) | −0.0051 (7) |
| O1W | 0.0499 (13) | 0.0354 (11) | 0.0605 (14) | −0.0130 (10) | −0.0197 (11) | 0.0029 (10) |
| O3W | 0.0370 (11) | 0.0510 (11) | 0.0227 (9) | −0.0284 (9) | −0.0097 (8) | 0.0079 (8) |
| O2W | 0.0697 (18) | 0.0779 (19) | 0.0591 (16) | −0.0224 (14) | −0.0130 (14) | −0.0186 (14) |
| C1—O2 | 1.241 (3) | C8—O4 | 1.246 (3) |
| C1—O1 | 1.281 (3) | C8—O3 | 1.263 (3) |
| C1—C2 | 1.499 (3) | Co1—O8 | 2.0363 (17) |
| C2—C3 | 1.388 (3) | Co1—O8i | 2.0363 (17) |
| C2—C7 | 1.389 (3) | Co1—O4ii | 2.0506 (15) |
| C3—C4 | 1.384 (3) | Co1—O4iii | 2.0506 (15) |
| C3—H3 | 0.9300 | Co1—O1 | 2.1623 (16) |
| C4—C5 | 1.379 (3) | Co1—O1i | 2.1623 (16) |
| C4—N1 | 1.477 (3) | Co2—O3W | 2.0205 (18) |
| C5—C6 | 1.391 (3) | Co2—O7 | 2.0383 (16) |
| C5—H5 | 0.9300 | Co2—O3ii | 2.0927 (16) |
| C6—C7 | 1.391 (3) | Co2—O1 | 2.1146 (17) |
| C6—C8 | 1.511 (3) | Co2—N2iv | 2.1468 (19) |
| C7—H7 | 0.9300 | N2—Co2v | 2.1468 (19) |
| C9—O8 | 1.250 (3) | N1—O6 | 1.220 (3) |
| C9—O7 | 1.254 (3) | N1—O5 | 1.222 (3) |
| C9—C10 | 1.507 (3) | O3—Co2vi | 2.0927 (16) |
| C10—C14 | 1.376 (3) | O4—Co1vi | 2.0506 (15) |
| C10—C11 | 1.384 (3) | O1W—H1W | 0.8406 |
| C11—C12 | 1.383 (3) | O1W—H2W | 0.8463 |
| C11—H11 | 0.9300 | O3W—H5W | 0.8243 |
| C12—N2 | 1.334 (3) | O3W—H6W | 0.8285 |
| C12—H12 | 0.9300 | O2W—H4WA | 0.854 (19) |
| C13—N2 | 1.341 (3) | O2W—H3WA | 0.83 (2) |
| C13—C14 | 1.366 (3) | O2W—H3WB | 0.868 (19) |
| C13—H13 | 0.9300 | O2W—H4WB | 0.886 (18) |
| C14—H14 | 0.9300 | ||
| O2—C1—O1 | 120.9 (2) | O8—Co1—O4iii | 84.51 (7) |
| O2—C1—C2 | 121.4 (2) | O8i—Co1—O4iii | 95.49 (7) |
| O1—C1—C2 | 117.69 (19) | O4ii—Co1—O4iii | 180.0 |
| C3—C2—C7 | 120.2 (2) | O8—Co1—O1 | 89.18 (6) |
| C3—C2—C1 | 119.64 (19) | O8i—Co1—O1 | 90.82 (6) |
| C7—C2—C1 | 120.2 (2) | O4ii—Co1—O1 | 87.91 (6) |
| C4—C3—C2 | 118.2 (2) | O4iii—Co1—O1 | 92.09 (6) |
| C4—C3—H3 | 120.9 | O8—Co1—O1i | 90.82 (6) |
| C2—C3—H3 | 120.9 | O8i—Co1—O1i | 89.18 (6) |
| C5—C4—C3 | 122.5 (2) | O4ii—Co1—O1i | 92.09 (6) |
| C5—C4—N1 | 119.0 (2) | O4iii—Co1—O1i | 87.91 (6) |
| C3—C4—N1 | 118.4 (2) | O1—Co1—O1i | 180.0 |
| C4—C5—C6 | 118.8 (2) | O3W—Co2—O7 | 86.46 (7) |
| C4—C5—H5 | 120.6 | O3W—Co2—O3ii | 101.78 (7) |
| C6—C5—H5 | 120.6 | O7—Co2—O3ii | 97.35 (7) |
| C5—C6—C7 | 119.6 (2) | O3W—Co2—O1 | 158.16 (7) |
| C5—C6—C8 | 118.8 (2) | O7—Co2—O1 | 93.45 (7) |
| C7—C6—C8 | 121.6 (2) | O3ii—Co2—O1 | 99.89 (6) |
| C2—C7—C6 | 120.5 (2) | O3W—Co2—N2iv | 90.42 (8) |
| C2—C7—H7 | 119.8 | O7—Co2—N2iv | 175.95 (7) |
| C6—C7—H7 | 119.8 | O3ii—Co2—N2iv | 85.80 (7) |
| O8—C9—O7 | 126.8 (2) | O1—Co2—N2iv | 88.50 (7) |
| O8—C9—C10 | 115.7 (2) | C12—N2—C13 | 116.3 (2) |
| O7—C9—C10 | 117.6 (2) | C12—N2—Co2v | 126.40 (16) |
| C14—C10—C11 | 117.4 (2) | C13—N2—Co2v | 116.62 (15) |
| C14—C10—C9 | 119.2 (2) | O6—N1—O5 | 123.4 (2) |
| C11—C10—C9 | 123.4 (2) | O6—N1—C4 | 118.2 (2) |
| C12—C11—C10 | 119.0 (2) | O5—N1—C4 | 118.4 (2) |
| C12—C11—H11 | 120.5 | C1—O1—Co2 | 99.61 (13) |
| C10—C11—H11 | 120.5 | C1—O1—Co1 | 132.30 (13) |
| N2—C12—C11 | 123.7 (2) | Co2—O1—Co1 | 110.24 (7) |
| N2—C12—H12 | 118.2 | C9—O7—Co2 | 122.97 (15) |
| C11—C12—H12 | 118.2 | C8—O3—Co2vi | 124.57 (14) |
| N2—C13—C14 | 123.5 (2) | C8—O4—Co1vi | 134.35 (15) |
| N2—C13—H13 | 118.3 | C9—O8—Co1 | 138.09 (15) |
| C14—C13—H13 | 118.3 | H1W—O1W—H2W | 108.3 |
| C13—C14—C10 | 120.1 (2) | Co2—O3W—H5W | 107.7 |
| C13—C14—H14 | 120.0 | Co2—O3W—H6W | 133.6 |
| C10—C14—H14 | 120.0 | H5W—O3W—H6W | 109.9 |
| O4—C8—O3 | 126.6 (2) | H4WA—O2W—H3WA | 111 (4) |
| O4—C8—C6 | 115.6 (2) | H4WA—O2W—H3WB | 149 (7) |
| O3—C8—C6 | 117.70 (19) | H3WA—O2W—H3WB | 51 (7) |
| O8—Co1—O8i | 180.000 (1) | H4WA—O2W—H4WB | 46 (6) |
| O8—Co1—O4ii | 95.49 (7) | H3WA—O2W—H4WB | 77 (6) |
| O8i—Co1—O4ii | 84.51 (7) | H3WB—O2W—H4WB | 103 (3) |
| O2—C1—C2—C3 | −146.5 (2) | C3—C4—N1—O5 | 169.9 (2) |
| O1—C1—C2—C3 | 32.3 (3) | O2—C1—O1—Co2 | 0.1 (2) |
| O2—C1—C2—C7 | 32.7 (3) | C2—C1—O1—Co2 | −178.70 (16) |
| O1—C1—C2—C7 | −148.5 (2) | O2—C1—O1—Co1 | −128.83 (19) |
| C7—C2—C3—C4 | 0.0 (3) | C2—C1—O1—Co1 | 52.4 (3) |
| C1—C2—C3—C4 | 179.3 (2) | O3W—Co2—O1—C1 | 8.5 (2) |
| C2—C3—C4—C5 | 4.0 (3) | O7—Co2—O1—C1 | −80.54 (13) |
| C2—C3—C4—N1 | −175.2 (2) | O3ii—Co2—O1—C1 | −178.62 (13) |
| C3—C4—C5—C6 | −3.7 (4) | N2iv—Co2—O1—C1 | 95.91 (13) |
| N1—C4—C5—C6 | 175.4 (2) | O3W—Co2—O1—Co1 | 150.72 (15) |
| C4—C5—C6—C7 | −0.5 (3) | O7—Co2—O1—Co1 | 61.64 (8) |
| C4—C5—C6—C8 | −179.9 (2) | O3ii—Co2—O1—Co1 | −36.44 (8) |
| C3—C2—C7—C6 | −4.1 (3) | N2iv—Co2—O1—Co1 | −121.91 (8) |
| C1—C2—C7—C6 | 176.6 (2) | O8—Co1—O1—C1 | 84.14 (19) |
| C5—C6—C7—C2 | 4.4 (3) | O8i—Co1—O1—C1 | −95.86 (19) |
| C8—C6—C7—C2 | −176.2 (2) | O4ii—Co1—O1—C1 | 179.66 (19) |
| O8—C9—C10—C14 | 16.8 (3) | O4iii—Co1—O1—C1 | −0.34 (19) |
| O7—C9—C10—C14 | −162.7 (2) | O8—Co1—O1—Co2 | −41.04 (7) |
| O8—C9—C10—C11 | −164.6 (2) | O8i—Co1—O1—Co2 | 138.96 (7) |
| O7—C9—C10—C11 | 16.0 (3) | O4ii—Co1—O1—Co2 | 54.48 (8) |
| C14—C10—C11—C12 | −2.2 (4) | O4iii—Co1—O1—Co2 | −125.52 (8) |
| C9—C10—C11—C12 | 179.2 (2) | O8—C9—O7—Co2 | −4.1 (3) |
| C10—C11—C12—N2 | 2.8 (4) | C10—C9—O7—Co2 | 175.29 (14) |
| N2—C13—C14—C10 | 1.9 (4) | O3W—Co2—O7—C9 | 157.95 (19) |
| C11—C10—C14—C13 | 0.0 (4) | O3ii—Co2—O7—C9 | 56.52 (18) |
| C9—C10—C14—C13 | 178.7 (2) | O1—Co2—O7—C9 | −43.92 (18) |
| C5—C6—C8—O4 | −21.3 (3) | O4—C8—O3—Co2vi | 35.3 (3) |
| C7—C6—C8—O4 | 159.2 (2) | C6—C8—O3—Co2vi | −143.13 (16) |
| C5—C6—C8—O3 | 157.3 (2) | O3—C8—O4—Co1vi | 7.4 (4) |
| C7—C6—C8—O3 | −22.2 (3) | C6—C8—O4—Co1vi | −174.15 (14) |
| C11—C12—N2—C13 | −1.0 (4) | O7—C9—O8—Co1 | 43.6 (4) |
| C11—C12—N2—Co2v | −171.6 (2) | C10—C9—O8—Co1 | −135.76 (18) |
| C14—C13—N2—C12 | −1.3 (4) | O4ii—Co1—O8—C9 | −101.0 (2) |
| C14—C13—N2—Co2v | 170.1 (2) | O4iii—Co1—O8—C9 | 79.0 (2) |
| C5—C4—N1—O6 | 172.6 (2) | O1—Co1—O8—C9 | −13.2 (2) |
| C3—C4—N1—O6 | −8.3 (3) | O1i—Co1—O8—C9 | 166.8 (2) |
| C5—C4—N1—O5 | −9.3 (3) |
| H··· | ||||
| O1 | 0.84 | 2.05 | 2.861 (3) | 160 |
| O1 | 0.85 | 1.93 | 2.773 (3) | 173 |
| O3 | 0.82 | 2.01 | 2.820 (2) | 168 |
| O3 | 0.83 | 1.83 | 2.648 (3) | 167 |
| O2 | 0.85 (2) | 2.27 (2) | 3.098 (4) | 165 (8) |
| O2 | 0.83 (2) | 2.38 (6) | 3.055 (3) | 138 (8) |
| O2 | 0.87 (2) | 2.49 (3) | 3.297 (6) | 154 (6) |
| O2 | 0.89 (5) | 2.54 (5) | 3.055 (4) | 118 (3) |
| O2 | 0.89 (5) | 2.54 (5) | 3.098 (3) | 121 (4) |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| O1 | 0.84 | 2.05 | 2.861 (3) | 160 |
| O1 | 0.85 | 1.93 | 2.773 (3) | 173 |
| O3 | 0.82 | 2.01 | 2.820 (2) | 168 |
| O3 | 0.83 | 1.83 | 2.648 (3) | 167 |
| O2 | 0.85 (2) | 2.27 (2) | 3.098 (4) | 165 (8) |
| O2 | 0.83 (2) | 2.38 (6) | 3.055 (3) | 138 (8) |
| O2 | 0.87 (2) | 2.49 (3) | 3.297 (6) | 154 (6) |
| O2 | 0.89 (5) | 2.54 (5) | 3.055 (4) | 118 (3) |
| O2 | 0.89 (5) | 2.54 (5) | 3.098 (3) | 121 (4) |
Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) ; (vi) .