| Literature DB >> 21578451 |
Abstract
The asymmetric unit of the title compound, C(15)H(13)N(3)O(5), contains two independent mol-ecules. Each mol-ecule displays an E configuration with respect to its C=N double bond. The dihedral angles between the two benzene rings are 11.1 (2) and 10.9 (2)° in the two mol-ecules. In the crystal structure, mol-ecules are linked through inter-molecular O-H⋯O hydrogen bonds, forming chains running along the a axis.Entities:
Year: 2009 PMID: 21578451 PMCID: PMC2971021 DOI: 10.1107/S1600536809043840
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| C15H13N3O5 | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 2340 reflections | |
| θ = 2.5–25.3° | |
| µ = 0.11 mm−1 | |
| α = 86.902 (5)° | |
| β = 83.023 (5)° | Block, colorless |
| γ = 82.509 (5)° | 0.17 × 0.15 × 0.15 mm |
| Bruker SMART CCD diffractometer | 6066 independent reflections |
| Radiation source: fine-focus sealed tube | 4236 reflections with |
| graphite | |
| ω scans | θmax = 27.0°, θmin = 2.3° |
| Absorption correction: multi-scan ( | |
| 8779 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 | |
| 6066 reflections | (Δ/σ)max = 0.001 |
| 425 parameters | Δρmax = 0.23 e Å−3 |
| 2 restraints | Δρmin = −0.26 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 |
| O1 | 0.43038 (17) | 0.56766 (15) | 0.20225 (9) | 0.0651 (4) | |
| O2 | 0.51734 (15) | 0.97729 (14) | 0.11083 (7) | 0.0496 (3) | |
| O3 | 0.04575 (17) | 0.86066 (17) | −0.04665 (8) | 0.0648 (4) | |
| O4 | −0.19271 (18) | 0.88756 (16) | −0.06698 (8) | 0.0642 (4) | |
| O5 | −0.22760 (16) | 0.36644 (15) | 0.16573 (7) | 0.0516 (4) | |
| H5 | −0.1793 | 0.3639 | 0.2017 | 0.077* | |
| O6 | 0.93551 (17) | 0.39747 (18) | 0.28075 (8) | 0.0630 (4) | |
| O7 | 1.02232 (16) | 0.21547 (16) | 0.48449 (7) | 0.0548 (4) | |
| O8 | 0.54241 (17) | −0.09248 (17) | 0.43071 (8) | 0.0655 (4) | |
| O9 | 0.30249 (18) | −0.12659 (17) | 0.44316 (8) | 0.0662 (4) | |
| O10 | 0.27735 (16) | 0.33708 (14) | 0.18156 (7) | 0.0489 (3) | |
| H10 | 0.3249 | 0.4094 | 0.1814 | 0.073* | |
| N1 | 0.20958 (17) | 0.68586 (16) | 0.12448 (8) | 0.0415 (4) | |
| N2 | 0.32509 (17) | 0.76663 (16) | 0.13956 (9) | 0.0426 (4) | |
| N3 | −0.08536 (19) | 0.82546 (17) | −0.03512 (8) | 0.0426 (4) | |
| N4 | 0.71155 (17) | 0.24869 (17) | 0.34137 (8) | 0.0405 (4) | |
| N5 | 0.82807 (18) | 0.27753 (18) | 0.38088 (8) | 0.0437 (4) | |
| N6 | 0.41209 (19) | −0.06591 (17) | 0.41211 (8) | 0.0435 (4) | |
| C1 | −0.02579 (19) | 0.67167 (19) | 0.07731 (9) | 0.0346 (4) | |
| C2 | −0.1160 (2) | 0.70609 (19) | 0.01894 (9) | 0.0357 (4) | |
| C3 | −0.2360 (2) | 0.6249 (2) | 0.00901 (10) | 0.0413 (4) | |
| H3 | −0.2926 | 0.6485 | −0.0310 | 0.050* | |
| C4 | −0.2708 (2) | 0.5109 (2) | 0.05763 (10) | 0.0433 (4) | |
| H4 | −0.3505 | 0.4564 | 0.0507 | 0.052* | |
| C5 | −0.1862 (2) | 0.47659 (19) | 0.11782 (9) | 0.0378 (4) | |
| C6 | −0.06376 (19) | 0.55545 (19) | 0.12606 (9) | 0.0366 (4) | |
| H6 | −0.0057 | 0.5296 | 0.1653 | 0.044* | |
| C7 | 0.1012 (2) | 0.7541 (2) | 0.09190 (10) | 0.0398 (4) | |
| H7 | 0.1011 | 0.8542 | 0.0773 | 0.048* | |
| C8 | 0.4347 (2) | 0.6969 (2) | 0.17976 (10) | 0.0404 (4) | |
| C9 | 0.56063 (19) | 0.7798 (2) | 0.19878 (10) | 0.0380 (4) | |
| C10 | 0.6016 (2) | 0.9147 (2) | 0.16516 (10) | 0.0395 (4) | |
| C11 | 0.7241 (2) | 0.9775 (2) | 0.18779 (11) | 0.0497 (5) | |
| H11 | 0.7510 | 1.0673 | 0.1661 | 0.060* | |
| C12 | 0.8050 (2) | 0.9064 (3) | 0.24229 (12) | 0.0584 (6) | |
| H12 | 0.8865 | 0.9492 | 0.2573 | 0.070* | |
| C13 | 0.7685 (2) | 0.7741 (3) | 0.27496 (12) | 0.0576 (6) | |
| H13 | 0.8250 | 0.7267 | 0.3115 | 0.069* | |
| C14 | 0.6473 (2) | 0.7120 (2) | 0.25317 (10) | 0.0479 (5) | |
| H14 | 0.6224 | 0.6220 | 0.2754 | 0.058* | |
| C15 | 0.5651 (2) | 1.1071 (2) | 0.07190 (12) | 0.0562 (5) | |
| H15A | 0.5549 | 1.1870 | 0.1054 | 0.084* | |
| H15B | 0.5011 | 1.1353 | 0.0330 | 0.084* | |
| H15C | 0.6714 | 1.0866 | 0.0511 | 0.084* | |
| C16 | 0.47579 (19) | 0.15649 (19) | 0.33463 (9) | 0.0350 (4) | |
| C17 | 0.3836 (2) | 0.04192 (19) | 0.35190 (9) | 0.0352 (4) | |
| C18 | 0.2637 (2) | 0.0237 (2) | 0.31102 (10) | 0.0404 (4) | |
| H18 | 0.2052 | −0.0547 | 0.3231 | 0.048* | |
| C19 | 0.2313 (2) | 0.1207 (2) | 0.25315 (10) | 0.0419 (4) | |
| H19 | 0.1525 | 0.1071 | 0.2251 | 0.050* | |
| C20 | 0.3170 (2) | 0.23981 (19) | 0.23648 (9) | 0.0373 (4) | |
| C21 | 0.43944 (19) | 0.25484 (19) | 0.27658 (9) | 0.0365 (4) | |
| H21 | 0.4983 | 0.3329 | 0.2641 | 0.044* | |
| C22 | 0.6037 (2) | 0.1839 (2) | 0.37580 (10) | 0.0400 (4) | |
| H22 | 0.6048 | 0.1544 | 0.4255 | 0.048* | |
| C23 | 0.9387 (2) | 0.3552 (2) | 0.34549 (10) | 0.0413 (4) | |
| C24 | 1.0637 (2) | 0.3942 (2) | 0.38721 (10) | 0.0420 (4) | |
| C25 | 1.1028 (2) | 0.3282 (2) | 0.45480 (11) | 0.0451 (5) | |
| C26 | 1.2213 (2) | 0.3780 (3) | 0.48783 (13) | 0.0611 (6) | |
| H26 | 1.2481 | 0.3351 | 0.5328 | 0.073* | |
| C27 | 1.2983 (3) | 0.4902 (3) | 0.45383 (16) | 0.0701 (7) | |
| H27 | 1.3751 | 0.5246 | 0.4770 | 0.084* | |
| C28 | 1.2647 (3) | 0.5530 (3) | 0.38670 (15) | 0.0669 (7) | |
| H28 | 1.3199 | 0.6272 | 0.3637 | 0.080* | |
| C29 | 1.1482 (2) | 0.5044 (2) | 0.35392 (12) | 0.0531 (5) | |
| H29 | 1.1252 | 0.5464 | 0.3082 | 0.064* | |
| C30 | 1.0611 (3) | 0.1437 (3) | 0.55204 (11) | 0.0626 (6) | |
| H30A | 1.1698 | 0.1073 | 0.5472 | 0.094* | |
| H30B | 1.0019 | 0.0617 | 0.5637 | 0.094* | |
| H30C | 1.0380 | 0.2134 | 0.5909 | 0.094* | |
| H2 | 0.331 (3) | 0.8598 (14) | 0.1214 (12) | 0.080* | |
| H5A | 0.833 (3) | 0.243 (2) | 0.4276 (7) | 0.080* |
| O1 | 0.0588 (9) | 0.0480 (9) | 0.0964 (12) | −0.0217 (7) | −0.0397 (8) | 0.0299 (8) |
| O2 | 0.0452 (8) | 0.0470 (8) | 0.0607 (9) | −0.0190 (6) | −0.0160 (6) | 0.0159 (6) |
| O3 | 0.0507 (9) | 0.0761 (11) | 0.0666 (10) | −0.0205 (8) | −0.0020 (7) | 0.0268 (8) |
| O4 | 0.0730 (10) | 0.0556 (9) | 0.0715 (10) | −0.0181 (7) | −0.0394 (8) | 0.0242 (7) |
| O5 | 0.0604 (9) | 0.0534 (8) | 0.0477 (8) | −0.0284 (7) | −0.0168 (7) | 0.0145 (6) |
| O6 | 0.0574 (9) | 0.0893 (11) | 0.0492 (9) | −0.0331 (8) | −0.0201 (7) | 0.0254 (8) |
| O7 | 0.0522 (8) | 0.0695 (10) | 0.0476 (8) | −0.0127 (7) | −0.0238 (7) | 0.0083 (7) |
| O8 | 0.0525 (9) | 0.0743 (10) | 0.0677 (10) | −0.0008 (7) | −0.0205 (8) | 0.0273 (8) |
| O9 | 0.0741 (11) | 0.0728 (10) | 0.0595 (9) | −0.0395 (8) | −0.0200 (8) | 0.0271 (8) |
| O10 | 0.0550 (9) | 0.0468 (8) | 0.0502 (8) | −0.0150 (6) | −0.0250 (6) | 0.0149 (6) |
| N1 | 0.0358 (8) | 0.0410 (9) | 0.0513 (9) | −0.0146 (7) | −0.0137 (7) | 0.0082 (7) |
| N2 | 0.0386 (8) | 0.0378 (8) | 0.0558 (10) | −0.0144 (7) | −0.0182 (7) | 0.0112 (7) |
| N3 | 0.0461 (9) | 0.0428 (9) | 0.0404 (9) | −0.0097 (7) | −0.0102 (7) | 0.0051 (7) |
| N4 | 0.0372 (8) | 0.0488 (9) | 0.0391 (8) | −0.0115 (7) | −0.0156 (7) | 0.0050 (7) |
| N5 | 0.0394 (9) | 0.0598 (10) | 0.0360 (8) | −0.0171 (7) | −0.0143 (7) | 0.0085 (7) |
| N6 | 0.0506 (10) | 0.0404 (9) | 0.0406 (9) | −0.0082 (7) | −0.0098 (7) | 0.0053 (7) |
| C1 | 0.0298 (9) | 0.0360 (9) | 0.0385 (9) | −0.0057 (7) | −0.0052 (7) | 0.0017 (7) |
| C2 | 0.0378 (9) | 0.0355 (9) | 0.0339 (9) | −0.0055 (7) | −0.0052 (7) | 0.0022 (7) |
| C3 | 0.0422 (10) | 0.0476 (11) | 0.0368 (10) | −0.0089 (8) | −0.0142 (8) | 0.0024 (8) |
| C4 | 0.0435 (11) | 0.0459 (11) | 0.0450 (11) | −0.0171 (8) | −0.0119 (8) | 0.0011 (8) |
| C5 | 0.0410 (10) | 0.0360 (9) | 0.0365 (9) | −0.0083 (8) | −0.0029 (8) | 0.0022 (7) |
| C6 | 0.0337 (9) | 0.0405 (10) | 0.0371 (9) | −0.0076 (7) | −0.0097 (7) | 0.0043 (7) |
| C7 | 0.0388 (10) | 0.0363 (10) | 0.0458 (10) | −0.0105 (8) | −0.0100 (8) | 0.0091 (8) |
| C8 | 0.0368 (10) | 0.0391 (10) | 0.0471 (11) | −0.0101 (8) | −0.0108 (8) | 0.0078 (8) |
| C9 | 0.0314 (9) | 0.0426 (10) | 0.0409 (10) | −0.0061 (7) | −0.0060 (7) | −0.0028 (8) |
| C10 | 0.0325 (9) | 0.0446 (10) | 0.0422 (10) | −0.0068 (8) | −0.0044 (8) | −0.0033 (8) |
| C11 | 0.0421 (11) | 0.0505 (12) | 0.0602 (13) | −0.0177 (9) | −0.0063 (9) | −0.0070 (10) |
| C12 | 0.0470 (12) | 0.0711 (15) | 0.0638 (14) | −0.0138 (11) | −0.0193 (10) | −0.0179 (12) |
| C13 | 0.0543 (13) | 0.0689 (15) | 0.0540 (13) | −0.0043 (11) | −0.0241 (10) | −0.0102 (11) |
| C14 | 0.0476 (11) | 0.0512 (12) | 0.0459 (11) | −0.0042 (9) | −0.0124 (9) | 0.0013 (9) |
| C15 | 0.0533 (13) | 0.0510 (12) | 0.0652 (14) | −0.0200 (10) | −0.0035 (10) | 0.0141 (10) |
| C16 | 0.0319 (9) | 0.0398 (10) | 0.0327 (9) | −0.0039 (7) | −0.0040 (7) | 0.0022 (7) |
| C17 | 0.0369 (9) | 0.0353 (9) | 0.0331 (9) | −0.0036 (7) | −0.0058 (7) | 0.0025 (7) |
| C18 | 0.0431 (10) | 0.0391 (10) | 0.0417 (10) | −0.0153 (8) | −0.0075 (8) | 0.0032 (8) |
| C19 | 0.0421 (10) | 0.0451 (11) | 0.0421 (10) | −0.0109 (8) | −0.0149 (8) | 0.0007 (8) |
| C20 | 0.0386 (10) | 0.0392 (10) | 0.0341 (9) | −0.0034 (8) | −0.0080 (7) | 0.0040 (7) |
| C21 | 0.0350 (9) | 0.0379 (10) | 0.0383 (9) | −0.0094 (7) | −0.0081 (7) | 0.0050 (7) |
| C22 | 0.0385 (10) | 0.0479 (11) | 0.0351 (9) | −0.0090 (8) | −0.0116 (8) | 0.0084 (8) |
| C23 | 0.0371 (10) | 0.0455 (11) | 0.0426 (10) | −0.0073 (8) | −0.0096 (8) | 0.0045 (8) |
| C24 | 0.0312 (9) | 0.0459 (11) | 0.0498 (11) | −0.0020 (8) | −0.0087 (8) | −0.0084 (9) |
| C25 | 0.0348 (10) | 0.0507 (11) | 0.0509 (12) | −0.0012 (9) | −0.0104 (8) | −0.0107 (9) |
| C26 | 0.0478 (12) | 0.0715 (15) | 0.0688 (15) | −0.0012 (11) | −0.0264 (11) | −0.0182 (12) |
| C27 | 0.0467 (13) | 0.0724 (16) | 0.099 (2) | −0.0132 (12) | −0.0231 (13) | −0.0300 (15) |
| C28 | 0.0499 (13) | 0.0615 (15) | 0.0938 (19) | −0.0185 (11) | −0.0072 (13) | −0.0183 (13) |
| C29 | 0.0434 (11) | 0.0504 (12) | 0.0667 (14) | −0.0097 (9) | −0.0041 (10) | −0.0077 (10) |
| C30 | 0.0601 (14) | 0.0785 (16) | 0.0502 (12) | 0.0022 (12) | −0.0255 (10) | 0.0047 (11) |
| O1—C8 | 1.223 (2) | C9—C10 | 1.405 (3) |
| O2—C10 | 1.361 (2) | C10—C11 | 1.391 (2) |
| O2—C15 | 1.423 (2) | C11—C12 | 1.373 (3) |
| O3—N3 | 1.2217 (19) | C11—H11 | 0.9300 |
| O4—N3 | 1.2228 (19) | C12—C13 | 1.367 (3) |
| O5—C5 | 1.346 (2) | C12—H12 | 0.9300 |
| O5—H5 | 0.8200 | C13—C14 | 1.371 (3) |
| O6—C23 | 1.223 (2) | C13—H13 | 0.9300 |
| O7—C25 | 1.366 (2) | C14—H14 | 0.9300 |
| O7—C30 | 1.418 (2) | C15—H15A | 0.9600 |
| O8—N6 | 1.220 (2) | C15—H15B | 0.9600 |
| O9—N6 | 1.231 (2) | C15—H15C | 0.9600 |
| O10—C20 | 1.344 (2) | C16—C21 | 1.385 (2) |
| O10—H10 | 0.8200 | C16—C17 | 1.395 (2) |
| N1—C7 | 1.256 (2) | C16—C22 | 1.475 (2) |
| N1—N2 | 1.3837 (19) | C17—C18 | 1.390 (2) |
| N2—C8 | 1.348 (2) | C18—C19 | 1.367 (2) |
| N2—H2 | 0.895 (10) | C18—H18 | 0.9300 |
| N3—C2 | 1.451 (2) | C19—C20 | 1.393 (2) |
| N4—C22 | 1.260 (2) | C19—H19 | 0.9300 |
| N4—N5 | 1.3764 (19) | C20—C21 | 1.393 (2) |
| N5—C23 | 1.351 (2) | C21—H21 | 0.9300 |
| N5—H5A | 0.895 (10) | C22—H22 | 0.9300 |
| N6—C17 | 1.451 (2) | C23—C24 | 1.493 (2) |
| C1—C6 | 1.387 (2) | C24—C29 | 1.388 (3) |
| C1—C2 | 1.399 (2) | C24—C25 | 1.400 (3) |
| C1—C7 | 1.474 (2) | C25—C26 | 1.394 (3) |
| C2—C3 | 1.392 (2) | C26—C27 | 1.371 (3) |
| C3—C4 | 1.364 (2) | C26—H26 | 0.9300 |
| C3—H3 | 0.9300 | C27—C28 | 1.368 (3) |
| C4—C5 | 1.396 (2) | C27—H27 | 0.9300 |
| C4—H4 | 0.9300 | C28—C29 | 1.373 (3) |
| C5—C6 | 1.390 (2) | C28—H28 | 0.9300 |
| C6—H6 | 0.9300 | C29—H29 | 0.9300 |
| C7—H7 | 0.9300 | C30—H30A | 0.9600 |
| C8—C9 | 1.495 (2) | C30—H30B | 0.9600 |
| C9—C14 | 1.389 (3) | C30—H30C | 0.9600 |
| C10—O2—C15 | 117.91 (15) | C13—C14—C9 | 121.9 (2) |
| C5—O5—H5 | 109.5 | C13—C14—H14 | 119.1 |
| C25—O7—C30 | 118.82 (15) | C9—C14—H14 | 119.1 |
| C20—O10—H10 | 109.5 | O2—C15—H15A | 109.5 |
| C7—N1—N2 | 117.33 (15) | O2—C15—H15B | 109.5 |
| C8—N2—N1 | 117.45 (14) | H15A—C15—H15B | 109.5 |
| C8—N2—H2 | 120.6 (15) | O2—C15—H15C | 109.5 |
| N1—N2—H2 | 121.8 (15) | H15A—C15—H15C | 109.5 |
| O3—N3—O4 | 122.64 (16) | H15B—C15—H15C | 109.5 |
| O3—N3—C2 | 118.98 (15) | C21—C16—C17 | 117.22 (15) |
| O4—N3—C2 | 118.38 (15) | C21—C16—C22 | 118.02 (16) |
| C22—N4—N5 | 117.22 (15) | C17—C16—C22 | 124.70 (15) |
| C23—N5—N4 | 117.46 (15) | C18—C17—C16 | 121.56 (15) |
| C23—N5—H5A | 121.0 (15) | C18—C17—N6 | 117.20 (15) |
| N4—N5—H5A | 121.5 (16) | C16—C17—N6 | 121.22 (15) |
| O8—N6—O9 | 122.25 (16) | C19—C18—C17 | 120.27 (16) |
| O8—N6—C17 | 119.37 (16) | C19—C18—H18 | 119.9 |
| O9—N6—C17 | 118.38 (15) | C17—C18—H18 | 119.9 |
| C6—C1—C2 | 117.02 (15) | C18—C19—C20 | 119.51 (16) |
| C6—C1—C7 | 118.44 (15) | C18—C19—H19 | 120.2 |
| C2—C1—C7 | 124.49 (15) | C20—C19—H19 | 120.2 |
| C3—C2—C1 | 121.54 (16) | O10—C20—C21 | 122.29 (16) |
| C3—C2—N3 | 117.21 (15) | O10—C20—C19 | 118.01 (15) |
| C1—C2—N3 | 121.23 (15) | C21—C20—C19 | 119.70 (16) |
| C4—C3—C2 | 120.29 (16) | C16—C21—C20 | 121.65 (16) |
| C4—C3—H3 | 119.9 | C16—C21—H21 | 119.2 |
| C2—C3—H3 | 119.9 | C20—C21—H21 | 119.2 |
| C3—C4—C5 | 119.66 (16) | N4—C22—C16 | 117.72 (16) |
| C3—C4—H4 | 120.2 | N4—C22—H22 | 121.1 |
| C5—C4—H4 | 120.2 | C16—C22—H22 | 121.1 |
| O5—C5—C6 | 122.68 (16) | O6—C23—N5 | 121.09 (16) |
| O5—C5—C4 | 117.72 (16) | O6—C23—C24 | 119.70 (17) |
| C6—C5—C4 | 119.59 (16) | N5—C23—C24 | 119.17 (16) |
| C1—C6—C5 | 121.84 (16) | C29—C24—C25 | 118.61 (17) |
| C1—C6—H6 | 119.1 | C29—C24—C23 | 115.53 (17) |
| C5—C6—H6 | 119.1 | C25—C24—C23 | 125.85 (18) |
| N1—C7—C1 | 118.35 (16) | O7—C25—C26 | 123.40 (19) |
| N1—C7—H7 | 120.8 | O7—C25—C24 | 117.22 (16) |
| C1—C7—H7 | 120.8 | C26—C25—C24 | 119.4 (2) |
| O1—C8—N2 | 120.76 (16) | C27—C26—C25 | 119.8 (2) |
| O1—C8—C9 | 119.55 (16) | C27—C26—H26 | 120.1 |
| N2—C8—C9 | 119.67 (15) | C25—C26—H26 | 120.1 |
| C14—C9—C10 | 118.09 (16) | C28—C27—C26 | 121.6 (2) |
| C14—C9—C8 | 115.65 (16) | C28—C27—H27 | 119.2 |
| C10—C9—C8 | 126.22 (16) | C26—C27—H27 | 119.2 |
| O2—C10—C11 | 123.15 (17) | C27—C28—C29 | 118.8 (2) |
| O2—C10—C9 | 117.06 (15) | C27—C28—H28 | 120.6 |
| C11—C10—C9 | 119.79 (17) | C29—C28—H28 | 120.6 |
| C12—C11—C10 | 119.68 (19) | C28—C29—C24 | 121.7 (2) |
| C12—C11—H11 | 120.2 | C28—C29—H29 | 119.1 |
| C10—C11—H11 | 120.2 | C24—C29—H29 | 119.1 |
| C13—C12—C11 | 121.47 (19) | O7—C30—H30A | 109.5 |
| C13—C12—H12 | 119.3 | O7—C30—H30B | 109.5 |
| C11—C12—H12 | 119.3 | H30A—C30—H30B | 109.5 |
| C12—C13—C14 | 119.1 (2) | O7—C30—H30C | 109.5 |
| C12—C13—H13 | 120.5 | H30A—C30—H30C | 109.5 |
| C14—C13—H13 | 120.5 | H30B—C30—H30C | 109.5 |
| H··· | ||||
| O5—H5···O6i | 0.82 | 1.91 | 2.721 (2) | 169 |
| O10—H10···O1 | 0.82 | 1.88 | 2.689 (2) | 168 |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| O5—H5⋯O6i | 0.82 | 1.91 | 2.721 (2) | 169 |
| O10—H10⋯O1 | 0.82 | 1.88 | 2.689 (2) | 168 |
Symmetry code: (i) .