| Literature DB >> 21754270 |
Louiza Zenkhri, Nathalie Audebrand, Thierry Bataille.
Abstract
The title compound, {(C(2)H(10)N(2))(1.5)[Y(C(4)O(4))(3)(H(2)O)(4)]}(n) {system-atic name: catena-poly[sesqui(ethyl-enediammonium) [[tetra-aquabis-(squarato-κO)yttrium(III)]-μ-squarato-κ(2)O:O']]}, was synthesized by slow evaporation of an acid solution. The asymetric unit contains one yttrium cation in an anti-prismatic environnement, three squarate groups, one and a half protonated ethyl-enediamine mol-ecules and four water mol-ecules. YO(8) polyhedra are connected through bis-(mono-dentate) squarates, leading to infinite zigzag chains, in between which are located ammonium groups. A framework of hydrogen bonds between protonated amine N atoms, water mol-ecules and squarate anions ensures the cohesion of the structure.Entities:
Year: 2011 PMID: 21754270 PMCID: PMC3089218 DOI: 10.1107/S1600536811011251
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| (C2H10N2)1.5[Y(C4O4)3(H2O)4] | |
| Monoclinic, | Mo |
| Cell parameters from 57148 reflections | |
| θ = 2.9–27.5° | |
| µ = 2.75 mm−1 | |
| β = 90.935 (1)° | |
| Prism, colourless | |
| 0.22 × 0.14 × 0.12 mm |
| Nonius KappaCCD diffractometer | 5016 independent reflections |
| Radiation source: fine-focus sealed tube | 4140 reflections with |
| horizonally mounted graphite crystal | |
| Detector resolution: 9 pixels mm-1 | θmax = 27.5°, θmin = 2.9° |
| CCD scans | |
| Absorption correction: analytical (de Meulenaer & Tompa, 1965) | |
| 23285 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-atom parameters constrained | |
| 5016 reflections | (Δ/σ)max = 0.002 |
| 316 parameters | Δρmax = 1.77 e Å−3 |
| 0 restraints | Δρmin = −0.62 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 |
| Y1 | 0.81967 (3) | 0.09385 (2) | 0.775395 (16) | 0.01739 (9) | |
| OW1 | 0.6982 (2) | −0.02399 (18) | 0.69447 (13) | 0.0255 (5) | |
| H911 | 0.6156 | −0.0626 | 0.7085 | 0.038* | |
| H912 | 0.7647 | −0.0720 | 0.6785 | 0.038* | |
| OW2 | 0.5760 (3) | 0.15385 (18) | 0.74497 (16) | 0.0332 (6) | |
| H921 | 0.4774 | 0.1303 | 0.7446 | 0.050* | |
| H922 | 0.5568 | 0.2216 | 0.7550 | 0.050* | |
| OW3 | 0.7609 (4) | 0.1825 (2) | 0.88343 (19) | 0.0653 (12) | |
| H931 | 0.7880 | 0.2376 | 0.9116 | 0.098* | |
| H932 | 0.7345 | 0.1447 | 0.9243 | 0.098* | |
| OW4 | 1.0544 (3) | 0.16009 (19) | 0.82212 (15) | 0.0332 (6) | |
| H941 | 1.1451 | 0.1438 | 0.8013 | 0.050* | |
| H942 | 1.0623 | 0.2267 | 0.8356 | 0.050* | |
| C1 | 0.3965 (4) | −0.0751 (3) | 0.9370 (2) | 0.0344 (9) | |
| O1 | 0.2824 (3) | −0.0919 (3) | 0.97182 (19) | 0.0618 (10) | |
| C2 | 0.4625 (4) | 0.0166 (3) | 0.90558 (19) | 0.0308 (8) | |
| O2 | 0.4298 (4) | 0.1078 (2) | 0.90299 (18) | 0.0567 (9) | |
| C3 | 0.5884 (4) | −0.0427 (2) | 0.88126 (17) | 0.0215 (6) | |
| O3 | 0.7096 (2) | −0.02378 (17) | 0.84855 (13) | 0.0260 (5) | |
| C4 | 0.5259 (4) | −0.1337 (3) | 0.91110 (19) | 0.0270 (7) | |
| O4 | 0.5696 (3) | −0.2235 (2) | 0.91517 (16) | 0.0389 (6) | |
| C5 | 0.9863 (4) | −0.0763 (2) | 0.60978 (17) | 0.0212 (6) | |
| O5 | 0.8971 (3) | −0.14412 (17) | 0.62986 (14) | 0.0283 (5) | |
| C6 | 1.0043 (4) | 0.0306 (2) | 0.62387 (17) | 0.0212 (6) | |
| O6 | 0.9443 (3) | 0.09575 (17) | 0.66401 (13) | 0.0278 (5) | |
| C7 | 1.1316 (4) | 0.0349 (2) | 0.57414 (18) | 0.0228 (6) | |
| O7 | 1.2148 (3) | 0.10214 (18) | 0.55251 (16) | 0.0356 (6) | |
| C8 | 1.1158 (4) | −0.0751 (2) | 0.56315 (18) | 0.0227 (7) | |
| O8 | 1.1858 (3) | −0.14202 (19) | 0.53033 (16) | 0.0368 (6) | |
| C9 | 0.8814 (3) | 0.4399 (2) | 0.72880 (17) | 0.0190 (6) | |
| O9 | 1.0131 (2) | 0.46219 (16) | 0.71244 (13) | 0.0244 (5) | |
| C10 | 0.7446 (4) | 0.4939 (2) | 0.74815 (18) | 0.0225 (6) | |
| O10 | 0.7095 (3) | 0.58392 (18) | 0.75490 (17) | 0.0360 (6) | |
| C11 | 0.6683 (3) | 0.3960 (2) | 0.75669 (18) | 0.0216 (6) | |
| O11 | 0.5417 (3) | 0.3661 (2) | 0.77318 (16) | 0.0351 (6) | |
| C12 | 0.8066 (3) | 0.3451 (2) | 0.73838 (17) | 0.0203 (6) | |
| O12 | 0.8488 (3) | 0.25554 (17) | 0.73267 (15) | 0.0316 (6) | |
| N1 | 0.1150 (3) | 0.2173 (2) | 1.13530 (16) | 0.0276 (6) | |
| H11 | 0.1863 | 0.2579 | 1.1230 | 0.033* | |
| H12 | 0.1531 | 0.1615 | 1.1520 | 0.033* | |
| H13 | 0.0618 | 0.2454 | 1.1688 | 0.033* | |
| C13 | 0.0190 (4) | 0.1952 (3) | 1.0706 (2) | 0.0315 (8) | |
| H131 | −0.0192 | 0.2581 | 1.0511 | 0.038* | |
| H132 | −0.0654 | 0.1553 | 1.0858 | 0.038* | |
| C14 | 0.0985 (4) | 0.1398 (3) | 1.0114 (2) | 0.0317 (8) | |
| H141 | 0.1488 | 0.0817 | 1.0323 | 0.038* | |
| H142 | 0.0257 | 0.1156 | 0.9760 | 0.038* | |
| N2 | 0.2096 (3) | 0.2041 (2) | 0.97398 (16) | 0.0300 (7) | |
| H21 | 0.2778 | 0.2278 | 1.0107 | 0.036* | |
| H22 | 0.1607 | 0.2561 | 0.9477 | 0.036* | |
| H23 | 0.2683 | 0.1717 | 0.9464 | 0.036* | |
| N3 | 0.4125 (4) | −0.4070 (3) | 0.93482 (18) | 0.0392 (8) | |
| H31 | 0.4774 | −0.3779 | 0.9072 | 0.047* | |
| H32 | 0.3940 | −0.3685 | 0.9718 | 0.047* | |
| H33 | 0.3306 | −0.4175 | 0.9100 | 0.047* | |
| C15 | 0.4730 (4) | −0.5043 (3) | 0.9610 (2) | 0.0348 (9) | |
| H151 | 0.5550 | −0.5246 | 0.9306 | 0.042* | |
| H152 | 0.3963 | −0.5555 | 0.9574 | 0.042* |
| Y1 | 0.01584 (14) | 0.01229 (13) | 0.02423 (15) | 0.00006 (11) | 0.00636 (10) | 0.00037 (12) |
| OW1 | 0.0212 (11) | 0.0241 (12) | 0.0313 (12) | −0.0036 (9) | 0.0061 (9) | −0.0030 (10) |
| OW2 | 0.0161 (11) | 0.0211 (12) | 0.0625 (18) | 0.0014 (9) | 0.0049 (11) | 0.0036 (12) |
| OW3 | 0.099 (3) | 0.0388 (17) | 0.060 (2) | −0.0325 (18) | 0.055 (2) | −0.0255 (15) |
| OW4 | 0.0302 (13) | 0.0235 (12) | 0.0456 (16) | −0.0003 (10) | −0.0048 (11) | −0.0100 (11) |
| C1 | 0.0197 (16) | 0.058 (3) | 0.0259 (18) | −0.0034 (16) | 0.0021 (13) | 0.0039 (16) |
| O1 | 0.0269 (15) | 0.104 (3) | 0.055 (2) | −0.0107 (17) | 0.0177 (14) | 0.011 (2) |
| C2 | 0.0284 (18) | 0.042 (2) | 0.0228 (17) | 0.0099 (16) | 0.0066 (14) | 0.0032 (15) |
| O2 | 0.068 (2) | 0.0505 (19) | 0.0524 (19) | 0.0358 (17) | 0.0266 (17) | 0.0089 (15) |
| C3 | 0.0219 (15) | 0.0236 (16) | 0.0190 (15) | 0.0011 (13) | 0.0032 (12) | 0.0002 (12) |
| O3 | 0.0234 (11) | 0.0234 (12) | 0.0317 (13) | 0.0022 (9) | 0.0116 (10) | 0.0058 (10) |
| C4 | 0.0217 (16) | 0.0335 (18) | 0.0257 (17) | −0.0081 (14) | −0.0004 (13) | 0.0042 (14) |
| O4 | 0.0408 (15) | 0.0259 (13) | 0.0498 (17) | −0.0086 (12) | 0.0008 (13) | 0.0090 (12) |
| C5 | 0.0258 (16) | 0.0155 (14) | 0.0224 (15) | 0.0002 (12) | 0.0017 (12) | 0.0011 (11) |
| O5 | 0.0297 (12) | 0.0183 (11) | 0.0373 (14) | −0.0060 (10) | 0.0110 (10) | −0.0002 (10) |
| C6 | 0.0249 (15) | 0.0158 (14) | 0.0232 (16) | −0.0003 (12) | 0.0055 (12) | 0.0006 (12) |
| O6 | 0.0352 (13) | 0.0170 (11) | 0.0317 (13) | −0.0019 (10) | 0.0166 (10) | −0.0012 (10) |
| C7 | 0.0238 (16) | 0.0182 (15) | 0.0265 (16) | 0.0022 (12) | 0.0068 (13) | 0.0024 (12) |
| O7 | 0.0364 (14) | 0.0196 (12) | 0.0517 (16) | −0.0027 (11) | 0.0238 (12) | 0.0033 (11) |
| C8 | 0.0243 (16) | 0.0182 (15) | 0.0258 (16) | 0.0005 (12) | 0.0025 (13) | −0.0006 (12) |
| O8 | 0.0382 (14) | 0.0227 (13) | 0.0500 (17) | 0.0037 (11) | 0.0193 (12) | −0.0081 (11) |
| C9 | 0.0183 (14) | 0.0160 (14) | 0.0229 (15) | 0.0008 (11) | 0.0034 (12) | −0.0004 (12) |
| O9 | 0.0177 (11) | 0.0168 (11) | 0.0390 (14) | −0.0030 (9) | 0.0086 (9) | −0.0019 (10) |
| C10 | 0.0195 (15) | 0.0193 (15) | 0.0289 (17) | 0.0032 (12) | 0.0023 (12) | −0.0001 (13) |
| O10 | 0.0253 (12) | 0.0161 (12) | 0.0668 (19) | 0.0064 (10) | 0.0064 (12) | −0.0027 (12) |
| C11 | 0.0174 (14) | 0.0193 (15) | 0.0282 (16) | 0.0020 (12) | 0.0045 (12) | 0.0017 (13) |
| O11 | 0.0181 (11) | 0.0275 (13) | 0.0602 (18) | 0.0025 (10) | 0.0131 (11) | 0.0071 (12) |
| C12 | 0.0185 (14) | 0.0177 (14) | 0.0247 (16) | 0.0015 (12) | 0.0040 (12) | 0.0036 (12) |
| O12 | 0.0275 (12) | 0.0132 (11) | 0.0546 (16) | 0.0009 (9) | 0.0149 (11) | 0.0046 (11) |
| N1 | 0.0320 (15) | 0.0198 (13) | 0.0314 (16) | 0.0027 (12) | 0.0110 (12) | 0.0010 (12) |
| C13 | 0.0216 (16) | 0.0338 (19) | 0.039 (2) | 0.0014 (14) | 0.0029 (14) | 0.0051 (16) |
| C14 | 0.040 (2) | 0.0239 (17) | 0.0309 (19) | 0.0005 (15) | −0.0044 (15) | 0.0000 (14) |
| N2 | 0.0353 (16) | 0.0283 (15) | 0.0267 (15) | 0.0109 (13) | 0.0061 (12) | −0.0009 (12) |
| N3 | 0.0367 (18) | 0.046 (2) | 0.0351 (17) | −0.0108 (16) | 0.0085 (14) | −0.0034 (15) |
| C15 | 0.0296 (18) | 0.044 (2) | 0.031 (2) | −0.0111 (16) | 0.0079 (15) | −0.0092 (16) |
| Y1—O3 | 2.297 (2) | C8—O8 | 1.250 (4) |
| Y1—O12 | 2.304 (2) | C9—O9 | 1.261 (4) |
| Y1—O9i | 2.314 (2) | C9—C12 | 1.439 (4) |
| Y1—O6 | 2.351 (2) | C9—C10 | 1.471 (4) |
| Y1—OW3 | 2.377 (3) | O9—Y1ii | 2.314 (2) |
| Y1—OW2 | 2.386 (2) | C10—O10 | 1.244 (4) |
| Y1—OW1 | 2.409 (2) | C10—C11 | 1.479 (4) |
| Y1—OW4 | 2.428 (2) | C11—O11 | 1.247 (4) |
| OW1—H911 | 0.9405 | C11—C12 | 1.458 (4) |
| OW1—H912 | 0.9255 | C12—O12 | 1.254 (4) |
| OW2—H921 | 0.9388 | N1—C13 | 1.487 (5) |
| OW2—H922 | 0.9354 | N1—H11 | 0.8700 |
| OW3—H931 | 0.9277 | N1—H12 | 0.8700 |
| OW3—H932 | 0.9382 | N1—H13 | 0.8700 |
| OW4—H941 | 0.9307 | C13—C14 | 1.504 (5) |
| OW4—H942 | 0.9214 | C13—H131 | 0.9700 |
| C1—O1 | 1.237 (4) | C13—H132 | 0.9700 |
| C1—C2 | 1.476 (5) | C14—N2 | 1.491 (5) |
| C1—C4 | 1.484 (5) | C14—H141 | 0.9700 |
| C2—O2 | 1.249 (5) | C14—H142 | 0.9700 |
| C2—C3 | 1.454 (5) | N2—H21 | 0.9571 |
| C3—O3 | 1.277 (4) | N2—H22 | 0.9479 |
| C3—C4 | 1.445 (5) | N2—H23 | 0.8528 |
| C4—O4 | 1.257 (5) | N3—C15 | 1.479 (5) |
| C5—O5 | 1.265 (4) | N3—H31 | 0.8700 |
| C5—C6 | 1.453 (4) | N3—H32 | 0.8700 |
| C5—C8 | 1.456 (4) | N3—H33 | 0.8700 |
| C6—O6 | 1.264 (4) | C15—C15iii | 1.512 (8) |
| C6—C7 | 1.476 (4) | C15—H151 | 0.9700 |
| C7—O7 | 1.234 (4) | C15—H152 | 0.9700 |
| C7—C8 | 1.482 (4) | ||
| O3—Y1—O12 | 152.48 (8) | C5—C6—C7 | 90.7 (3) |
| O3—Y1—O9i | 73.35 (8) | C6—O6—Y1 | 135.7 (2) |
| O12—Y1—O9i | 131.37 (8) | O7—C7—C6 | 134.9 (3) |
| O3—Y1—O6 | 137.19 (8) | O7—C7—C8 | 136.6 (3) |
| O12—Y1—O6 | 68.55 (8) | C6—C7—C8 | 88.4 (2) |
| O9i—Y1—O6 | 77.00 (8) | O8—C8—C5 | 133.6 (3) |
| O3—Y1—OW3 | 75.14 (9) | O8—C8—C7 | 136.0 (3) |
| O12—Y1—OW3 | 81.46 (10) | C5—C8—C7 | 90.3 (2) |
| O9i—Y1—OW3 | 116.50 (12) | O9—C9—C12 | 132.6 (3) |
| O6—Y1—OW3 | 147.03 (9) | O9—C9—C10 | 137.1 (3) |
| O3—Y1—OW2 | 87.89 (8) | C12—C9—C10 | 90.2 (2) |
| O12—Y1—OW2 | 73.57 (8) | C9—O9—Y1ii | 139.9 (2) |
| O9i—Y1—OW2 | 150.02 (8) | O10—C10—C9 | 135.0 (3) |
| O6—Y1—OW2 | 103.86 (9) | O10—C10—C11 | 135.7 (3) |
| OW3—Y1—OW2 | 79.37 (13) | C9—C10—C11 | 89.2 (2) |
| O3—Y1—OW1 | 74.04 (8) | O11—C11—C12 | 133.8 (3) |
| O12—Y1—OW1 | 116.61 (9) | O11—C11—C10 | 137.0 (3) |
| O9i—Y1—OW1 | 81.66 (8) | C12—C11—C10 | 89.2 (2) |
| O6—Y1—OW1 | 71.68 (8) | O12—C12—C9 | 132.7 (3) |
| OW3—Y1—OW1 | 137.23 (10) | O12—C12—C11 | 135.9 (3) |
| OW2—Y1—OW1 | 70.61 (9) | C9—C12—C11 | 91.4 (2) |
| O3—Y1—OW4 | 114.74 (9) | C12—O12—Y1 | 145.1 (2) |
| O12—Y1—OW4 | 71.35 (9) | C13—N1—H11 | 109.5 |
| O9i—Y1—OW4 | 71.44 (8) | C13—N1—H12 | 109.5 |
| O6—Y1—OW4 | 83.21 (9) | H11—N1—H12 | 109.5 |
| OW3—Y1—OW4 | 74.20 (11) | C13—N1—H13 | 109.5 |
| OW2—Y1—OW4 | 138.51 (9) | H11—N1—H13 | 109.5 |
| OW1—Y1—OW4 | 146.71 (8) | H12—N1—H13 | 109.5 |
| Y1—OW1—H911 | 122.4 | N1—C13—C14 | 113.6 (3) |
| Y1—OW1—H912 | 110.8 | N1—C13—H131 | 108.8 |
| H911—OW1—H912 | 103.1 | C14—C13—H131 | 108.8 |
| Y1—OW2—H921 | 138.7 | N1—C13—H132 | 108.8 |
| Y1—OW2—H922 | 116.5 | C14—C13—H132 | 108.8 |
| H921—OW2—H922 | 98.3 | H131—C13—H132 | 107.7 |
| Y1—OW3—H931 | 142.9 | N2—C14—C13 | 112.5 (3) |
| Y1—OW3—H932 | 117.9 | N2—C14—H141 | 109.1 |
| H931—OW3—H932 | 92.4 | C13—C14—H141 | 109.1 |
| Y1—OW4—H941 | 122.0 | N2—C14—H142 | 109.1 |
| Y1—OW4—H942 | 120.4 | C13—C14—H142 | 109.1 |
| H941—OW4—H942 | 105.7 | H141—C14—H142 | 107.8 |
| O1—C1—C2 | 133.9 (4) | C14—N2—H21 | 106.7 |
| O1—C1—C4 | 136.9 (4) | C14—N2—H22 | 110.2 |
| C2—C1—C4 | 89.2 (3) | H21—N2—H22 | 113.9 |
| O2—C2—C3 | 134.3 (4) | C14—N2—H23 | 114.2 |
| O2—C2—C1 | 136.1 (3) | H21—N2—H23 | 101.0 |
| C3—C2—C1 | 89.6 (3) | H22—N2—H23 | 110.5 |
| O3—C3—C4 | 133.1 (3) | C15—N3—H31 | 109.5 |
| O3—C3—C2 | 135.3 (3) | C15—N3—H32 | 109.5 |
| C4—C3—C2 | 91.6 (3) | H31—N3—H32 | 109.5 |
| C3—O3—Y1 | 142.0 (2) | C15—N3—H33 | 109.5 |
| O4—C4—C3 | 133.9 (3) | H31—N3—H33 | 109.5 |
| O4—C4—C1 | 136.4 (3) | H32—N3—H33 | 109.5 |
| C3—C4—C1 | 89.6 (3) | N3—C15—C15iii | 110.7 (4) |
| O5—C5—C6 | 135.6 (3) | N3—C15—H151 | 109.5 |
| O5—C5—C8 | 134.0 (3) | C15iii—C15—H151 | 109.5 |
| C6—C5—C8 | 90.4 (2) | N3—C15—H152 | 109.5 |
| O6—C6—C5 | 136.6 (3) | C15iii—C15—H152 | 109.5 |
| O6—C6—C7 | 132.6 (3) | H151—C15—H152 | 108.1 |
| H··· | ||||
| N1—H12···O3iv | 0.87 | 2.21 | 3.027 (4) | 157 |
| N1—H12···O9v | 0.87 | 2.36 | 2.929 (4) | 123 |
| N1—H11···O4iv | 0.87 | 2.36 | 2.995 (4) | 131 |
| N1—H11···O7v | 0.87 | 2.28 | 2.987 (4) | 138 |
| N1—H13···O6v | 0.87 | 2.36 | 2.970 (4) | 127 |
| N1—H13···O12v | 0.87 | 2.26 | 3.032 (4) | 148 |
| N2—H23···O2 | 0.85 | 1.87 | 2.707 (4) | 167 |
| N2—H21···O4iv | 0.96 | 1.92 | 2.832 (4) | 159 |
| N2—H21···O7v | 0.96 | 2.46 | 2.952 (4) | 112 |
| N2—H22···O5vi | 0.95 | 2.01 | 2.929 (4) | 163 |
| N3—H31···O4 | 0.87 | 2.22 | 2.843 (4) | 129 |
| N3—H32···O8vii | 0.87 | 2.18 | 2.788 (4) | 127 |
| N3—H33···OW1viii | 0.87 | 2.40 | 2.997 (4) | 126 |
| OW1—H911···O11viii | 0.94 | 1.74 | 2.676 (3) | 175 |
| OW1—H912···O5 | 0.93 | 1.78 | 2.687 (3) | 166 |
| OW2—H922···O11 | 0.94 | 1.95 | 2.885 (4) | 173 |
| OW2—H921···O10viii | 0.94 | 1.79 | 2.726 (3) | 179 |
| OW3—H931···O8ii | 0.93 | 1.94 | 2.857 (4) | 172 |
| OW3—H932···O1iv | 0.94 | 2.04 | 2.954 (5) | 163 |
| OW4—H942···O5ii | 0.92 | 1.86 | 2.779 (3) | 172 |
| OW4—H941···O10i | 0.93 | 1.86 | 2.761 (4) | 163 |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| N1—H12⋯O3i | 0.87 | 2.21 | 3.027 (4) | 157 |
| N1—H12⋯O9ii | 0.87 | 2.36 | 2.929 (4) | 123 |
| N1—H11⋯O4i | 0.87 | 2.36 | 2.995 (4) | 131 |
| N1—H11⋯O7ii | 0.87 | 2.28 | 2.987 (4) | 138 |
| N1—H13⋯O6ii | 0.87 | 2.36 | 2.970 (4) | 127 |
| N1—H13⋯O12ii | 0.87 | 2.26 | 3.032 (4) | 148 |
| N2—H23⋯O2 | 0.85 | 1.87 | 2.707 (4) | 167 |
| N2—H21⋯O4i | 0.96 | 1.92 | 2.832 (4) | 159 |
| N2—H21⋯O7ii | 0.96 | 2.46 | 2.952 (4) | 112 |
| N2—H22⋯O5iii | 0.95 | 2.01 | 2.929 (4) | 163 |
| N3—H31⋯O4 | 0.87 | 2.22 | 2.843 (4) | 129 |
| N3—H32⋯O8iv | 0.87 | 2.18 | 2.788 (4) | 127 |
| N3—H33⋯O | 0.87 | 2.40 | 2.997 (4) | 126 |
| O | 0.94 | 1.74 | 2.676 (3) | 175 |
| O | 0.93 | 1.78 | 2.687 (3) | 166 |
| O | 0.94 | 1.95 | 2.885 (4) | 173 |
| O | 0.94 | 1.79 | 2.726 (3) | 179 |
| O | 0.93 | 1.94 | 2.857 (4) | 172 |
| O | 0.94 | 2.04 | 2.954 (5) | 163 |
| O | 0.92 | 1.86 | 2.779 (3) | 172 |
| O | 0.93 | 1.86 | 2.761 (4) | 163 |
Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) ; (vi) ; (vii) .