| Literature DB >> 23476257 |
V Rajni Swamy1, R V Krishnakumar, N Srinivasan, P Gunasekaran, S Perumal.
Abstract
In the title compound, C29H24N2O2, the hydrofuran ring is twisted with puckering parameters Q = 0.1553 (16) Å and ϕ = 305.0 (6)°. In the crystal, the graph-set motifs of the inter-action pattern are an R2(2)(16) motif involving dimers through N-H⋯N hydrogen bonds across centres of inversion and a C(6) motif through C-H⋯O hydrogen-bond between glide-related mol-ecules. Together, these generate [101] ladder-like chains.Entities:
Year: 2012 PMID: 23476257 PMCID: PMC3589021 DOI: 10.1107/S1600536812046764
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| C29H24N2O2 | |
| Monoclinic, | Mo |
| Hall symbol: -P 2yn | Cell parameters from 4455 reflections |
| θ = 2.5–25.9° | |
| µ = 0.08 mm−1 | |
| β = 110.325 (1)° | Block, yellow |
| 0.30 × 0.24 × 0.18 mm | |
| Bruker SMART APEXII CCD diffractometer | 4455 independent reflections |
| Radiation source: fine-focus sealed tube | 2979 reflections with |
| Graphite monochromator | |
| ω and φ scans | θmax = 25.9°, θmin = 2.5° |
| Absorption correction: multi-scan ( | |
| 21711 measured reflections |
| Refinement on | Secondary atom site location: difference Fourier map |
| Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
| H atoms treated by a mixture of independent and constrained refinement | |
| (Δ/σ)max < 0.001 | |
| 4455 reflections | Δρmax = 0.14 e Å−3 |
| 313 parameters | Δρmin = −0.15 e Å−3 |
| 0 restraints | Extinction correction: |
| Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.0037 (8) |
| 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 | 0.27185 (7) | 0.17860 (13) | 0.26234 (6) | 0.0553 (3) | |
| O2 | 0.14529 (8) | 0.34499 (18) | 0.16547 (7) | 0.0792 (4) | |
| N1 | 0.49191 (10) | 0.5602 (2) | 0.31131 (9) | 0.0752 (5) | |
| N2 | 0.40406 (11) | 0.3263 (2) | 0.52408 (9) | 0.0694 (5) | |
| H2 | 0.4434 (13) | 0.352 (3) | 0.5722 (13) | 0.088 (6)* | |
| C38 | 0.41572 (11) | 0.3360 (2) | 0.45193 (10) | 0.0611 (5) | |
| H38 | 0.4652 | 0.3669 | 0.4451 | 0.073* | |
| C37 | 0.32392 (12) | 0.2788 (2) | 0.51144 (10) | 0.0623 (5) | |
| C36 | 0.28453 (16) | 0.2536 (3) | 0.56731 (12) | 0.0808 (6) | |
| H36 | 0.3124 | 0.2690 | 0.6224 | 0.097* | |
| C35 | 0.20349 (17) | 0.2056 (3) | 0.53802 (15) | 0.0907 (7) | |
| H35 | 0.1756 | 0.1862 | 0.5740 | 0.109* | |
| C34 | 0.16088 (14) | 0.1847 (3) | 0.45517 (14) | 0.0828 (6) | |
| H34 | 0.1051 | 0.1537 | 0.4371 | 0.099* | |
| C33 | 0.20012 (12) | 0.2091 (2) | 0.39978 (12) | 0.0640 (5) | |
| H33 | 0.1721 (10) | 0.194 (2) | 0.3426 (10) | 0.063 (5)* | |
| C32 | 0.28362 (11) | 0.25594 (19) | 0.42818 (9) | 0.0527 (4) | |
| C31 | 0.34395 (10) | 0.29363 (19) | 0.39077 (9) | 0.0510 (4) | |
| C3 | 0.33352 (9) | 0.28117 (19) | 0.30620 (9) | 0.0481 (4) | |
| C2 | 0.37493 (10) | 0.34966 (19) | 0.26182 (9) | 0.0486 (4) | |
| C1 | 0.43942 (11) | 0.4654 (2) | 0.28977 (9) | 0.0544 (4) | |
| C5 | 0.34552 (9) | 0.27757 (19) | 0.17735 (9) | 0.0477 (4) | |
| H5 | 0.3302 | 0.3663 | 0.1371 | 0.057* | |
| C4 | 0.26595 (9) | 0.18830 (19) | 0.17900 (8) | 0.0483 (4) | |
| H4 | 0.2641 | 0.0769 | 0.1571 | 0.058* | |
| C41 | 0.18682 (10) | 0.2796 (2) | 0.13117 (9) | 0.0505 (4) | |
| C42 | 0.16376 (9) | 0.28783 (19) | 0.04210 (9) | 0.0472 (4) | |
| C43 | 0.20139 (11) | 0.1912 (2) | 0.00015 (10) | 0.0613 (5) | |
| H43 | 0.2440 | 0.1194 | 0.0281 | 0.074* | |
| C44 | 0.17592 (13) | 0.2007 (3) | −0.08313 (11) | 0.0751 (6) | |
| H44 | 0.2012 | 0.1348 | −0.1111 | 0.090* | |
| C45 | 0.11360 (13) | 0.3069 (2) | −0.12478 (11) | 0.0725 (5) | |
| H45 | 0.0966 | 0.3129 | −0.1809 | 0.087* | |
| C46 | 0.07638 (12) | 0.4040 (3) | −0.08392 (11) | 0.0741 (5) | |
| H46 | 0.0343 | 0.4767 | −0.1121 | 0.089* | |
| C47 | 0.10122 (11) | 0.3943 (2) | −0.00096 (10) | 0.0633 (5) | |
| H47 | 0.0755 | 0.4604 | 0.0265 | 0.076* | |
| C51 | 0.41055 (9) | 0.16822 (19) | 0.16311 (9) | 0.0486 (4) | |
| C52 | 0.44866 (12) | 0.2118 (2) | 0.10860 (11) | 0.0718 (5) | |
| H52 | 0.4313 | 0.3059 | 0.0772 | 0.086* | |
| C53 | 0.51201 (13) | 0.1176 (3) | 0.10024 (12) | 0.0803 (6) | |
| H53 | 0.5365 | 0.1498 | 0.0630 | 0.096* | |
| C54 | 0.54025 (11) | −0.0221 (2) | 0.14503 (10) | 0.0631 (5) | |
| C55 | 0.49997 (10) | −0.0680 (2) | 0.19778 (10) | 0.0579 (4) | |
| H55 | 0.5163 | −0.1640 | 0.2280 | 0.070* | |
| C56 | 0.43633 (10) | 0.0251 (2) | 0.20650 (9) | 0.0518 (4) | |
| H56 | 0.4086 (9) | −0.0097 (19) | 0.2440 (9) | 0.059 (4)* | |
| C6 | 0.61471 (13) | −0.1150 (3) | 0.14021 (12) | 0.0827 (6) | |
| H6 | 0.6245 | −0.0765 | 0.0916 | 0.099* | |
| C7 | 0.69188 (13) | −0.0692 (4) | 0.21299 (13) | 0.1129 (9) | |
| H7A | 0.6812 | −0.0901 | 0.2621 | 0.169* | |
| H7B | 0.7043 | 0.0453 | 0.2101 | 0.169* | |
| H7C | 0.7385 | −0.1343 | 0.2123 | 0.169* | |
| C8 | 0.60164 (18) | −0.2977 (3) | 0.1318 (2) | 0.1309 (11) | |
| H8A | 0.5946 | −0.3408 | 0.1797 | 0.196* | |
| H8B | 0.6492 | −0.3484 | 0.1244 | 0.196* | |
| H8C | 0.5528 | −0.3208 | 0.0857 | 0.196* |
| O1 | 0.0631 (7) | 0.0602 (7) | 0.0400 (6) | −0.0138 (6) | 0.0145 (5) | −0.0035 (5) |
| O2 | 0.0800 (9) | 0.1019 (10) | 0.0621 (8) | 0.0212 (8) | 0.0331 (7) | −0.0097 (7) |
| N1 | 0.0769 (11) | 0.0719 (11) | 0.0629 (10) | −0.0211 (9) | 0.0067 (8) | −0.0012 (8) |
| N2 | 0.0827 (12) | 0.0747 (11) | 0.0406 (9) | −0.0067 (9) | 0.0087 (8) | −0.0032 (7) |
| C38 | 0.0699 (11) | 0.0623 (11) | 0.0458 (10) | −0.0031 (9) | 0.0134 (8) | −0.0008 (8) |
| C37 | 0.0830 (14) | 0.0546 (10) | 0.0484 (10) | 0.0046 (10) | 0.0217 (9) | 0.0016 (8) |
| C36 | 0.1129 (18) | 0.0812 (14) | 0.0558 (12) | 0.0064 (13) | 0.0389 (12) | 0.0030 (10) |
| C35 | 0.1152 (19) | 0.0943 (17) | 0.0842 (16) | 0.0108 (15) | 0.0619 (15) | 0.0097 (13) |
| C34 | 0.0788 (14) | 0.0842 (15) | 0.0955 (17) | 0.0055 (12) | 0.0432 (13) | 0.0062 (12) |
| C33 | 0.0687 (12) | 0.0613 (11) | 0.0629 (12) | 0.0076 (9) | 0.0242 (10) | 0.0011 (9) |
| C32 | 0.0651 (11) | 0.0443 (9) | 0.0472 (9) | 0.0069 (8) | 0.0176 (8) | 0.0011 (7) |
| C31 | 0.0603 (10) | 0.0470 (9) | 0.0413 (9) | 0.0028 (8) | 0.0120 (7) | 0.0004 (7) |
| C3 | 0.0512 (9) | 0.0442 (9) | 0.0435 (9) | 0.0018 (7) | 0.0094 (7) | −0.0024 (7) |
| C2 | 0.0511 (9) | 0.0465 (9) | 0.0438 (8) | −0.0020 (8) | 0.0107 (7) | −0.0027 (7) |
| C1 | 0.0584 (10) | 0.0531 (10) | 0.0450 (9) | −0.0036 (9) | 0.0095 (8) | −0.0004 (8) |
| C5 | 0.0520 (9) | 0.0473 (9) | 0.0402 (8) | −0.0047 (7) | 0.0115 (7) | 0.0002 (7) |
| C4 | 0.0556 (9) | 0.0490 (9) | 0.0394 (8) | −0.0055 (7) | 0.0155 (7) | −0.0059 (7) |
| C41 | 0.0511 (9) | 0.0531 (9) | 0.0485 (9) | −0.0050 (8) | 0.0188 (8) | −0.0101 (7) |
| C42 | 0.0453 (9) | 0.0486 (9) | 0.0460 (9) | −0.0057 (7) | 0.0137 (7) | −0.0074 (7) |
| C43 | 0.0677 (11) | 0.0652 (11) | 0.0506 (10) | 0.0086 (9) | 0.0199 (8) | −0.0026 (8) |
| C44 | 0.0912 (14) | 0.0846 (14) | 0.0548 (11) | 0.0057 (12) | 0.0320 (11) | −0.0082 (10) |
| C45 | 0.0856 (14) | 0.0795 (14) | 0.0462 (10) | −0.0104 (11) | 0.0149 (10) | 0.0021 (10) |
| C46 | 0.0728 (12) | 0.0755 (13) | 0.0581 (12) | 0.0063 (10) | 0.0030 (10) | 0.0016 (10) |
| C47 | 0.0568 (10) | 0.0696 (12) | 0.0568 (11) | 0.0039 (9) | 0.0110 (8) | −0.0088 (9) |
| C51 | 0.0525 (9) | 0.0532 (9) | 0.0392 (8) | −0.0068 (8) | 0.0148 (7) | −0.0013 (7) |
| C52 | 0.0848 (13) | 0.0751 (13) | 0.0671 (12) | 0.0079 (11) | 0.0410 (11) | 0.0220 (10) |
| C53 | 0.0857 (14) | 0.1008 (16) | 0.0742 (13) | 0.0119 (12) | 0.0528 (11) | 0.0227 (12) |
| C54 | 0.0628 (11) | 0.0780 (13) | 0.0539 (10) | 0.0029 (10) | 0.0271 (9) | −0.0005 (9) |
| C55 | 0.0620 (11) | 0.0598 (11) | 0.0529 (10) | 0.0034 (9) | 0.0212 (8) | 0.0046 (8) |
| C56 | 0.0579 (10) | 0.0575 (10) | 0.0445 (9) | −0.0049 (8) | 0.0234 (8) | 0.0026 (8) |
| C6 | 0.0760 (13) | 0.1117 (18) | 0.0713 (13) | 0.0184 (13) | 0.0393 (11) | 0.0067 (12) |
| C7 | 0.0725 (15) | 0.190 (3) | 0.0792 (16) | 0.0226 (16) | 0.0300 (13) | 0.0053 (16) |
| C8 | 0.125 (2) | 0.110 (2) | 0.182 (3) | 0.0356 (18) | 0.084 (2) | −0.005 (2) |
| O1—C3 | 1.3557 (18) | C42—C43 | 1.381 (2) |
| O1—C4 | 1.4384 (17) | C43—C44 | 1.380 (2) |
| O2—C41 | 1.2043 (18) | C43—H43 | 0.9300 |
| N1—C1 | 1.143 (2) | C44—C45 | 1.370 (3) |
| N2—C38 | 1.356 (2) | C44—H44 | 0.9300 |
| N2—C37 | 1.366 (2) | C45—C46 | 1.365 (3) |
| N2—H2 | 0.91 (2) | C45—H45 | 0.9300 |
| C38—C31 | 1.367 (2) | C46—C47 | 1.375 (2) |
| C38—H38 | 0.9300 | C46—H46 | 0.9300 |
| C37—C36 | 1.388 (3) | C47—H47 | 0.9300 |
| C37—C32 | 1.399 (2) | C51—C56 | 1.377 (2) |
| C36—C35 | 1.358 (3) | C51—C52 | 1.381 (2) |
| C36—H36 | 0.9300 | C52—C53 | 1.376 (3) |
| C35—C34 | 1.397 (3) | C52—H52 | 0.9300 |
| C35—H35 | 0.9300 | C53—C54 | 1.371 (3) |
| C34—C33 | 1.378 (3) | C53—H53 | 0.9300 |
| C34—H34 | 0.9300 | C54—C55 | 1.387 (2) |
| C33—C32 | 1.392 (2) | C54—C6 | 1.508 (3) |
| C33—H33 | 0.961 (16) | C55—C56 | 1.377 (2) |
| C32—C31 | 1.437 (2) | C55—H55 | 0.9300 |
| C31—C3 | 1.441 (2) | C56—H56 | 0.978 (15) |
| C3—C2 | 1.344 (2) | C6—C8 | 1.501 (3) |
| C2—C1 | 1.402 (2) | C6—C7 | 1.533 (3) |
| C2—C5 | 1.513 (2) | C6—H6 | 0.9800 |
| C5—C51 | 1.511 (2) | C7—H7A | 0.9600 |
| C5—C4 | 1.552 (2) | C7—H7B | 0.9600 |
| C5—H5 | 0.9800 | C7—H7C | 0.9600 |
| C4—C41 | 1.516 (2) | C8—H8A | 0.9600 |
| C4—H4 | 0.9800 | C8—H8B | 0.9600 |
| C41—C42 | 1.480 (2) | C8—H8C | 0.9600 |
| C42—C47 | 1.380 (2) | ||
| C3—O1—C4 | 108.23 (11) | C43—C42—C41 | 122.63 (15) |
| C38—N2—C37 | 109.26 (16) | C44—C43—C42 | 120.21 (17) |
| C38—N2—H2 | 124.0 (13) | C44—C43—H43 | 119.9 |
| C37—N2—H2 | 126.6 (12) | C42—C43—H43 | 119.9 |
| N2—C38—C31 | 109.88 (16) | C45—C44—C43 | 120.31 (17) |
| N2—C38—H38 | 125.1 | C45—C44—H44 | 119.8 |
| C31—C38—H38 | 125.1 | C43—C44—H44 | 119.8 |
| N2—C37—C36 | 129.28 (18) | C46—C45—C44 | 120.01 (17) |
| N2—C37—C32 | 108.03 (15) | C46—C45—H45 | 120.0 |
| C36—C37—C32 | 122.68 (19) | C44—C45—H45 | 120.0 |
| C35—C36—C37 | 117.1 (2) | C45—C46—C47 | 119.89 (18) |
| C35—C36—H36 | 121.4 | C45—C46—H46 | 120.1 |
| C37—C36—H36 | 121.4 | C47—C46—H46 | 120.1 |
| C36—C35—C34 | 121.69 (19) | C46—C47—C42 | 120.99 (17) |
| C36—C35—H35 | 119.2 | C46—C47—H47 | 119.5 |
| C34—C35—H35 | 119.2 | C42—C47—H47 | 119.5 |
| C33—C34—C35 | 121.1 (2) | C56—C51—C52 | 117.70 (15) |
| C33—C34—H34 | 119.4 | C56—C51—C5 | 121.09 (13) |
| C35—C34—H34 | 119.4 | C52—C51—C5 | 121.15 (15) |
| C34—C33—C32 | 118.44 (19) | C53—C52—C51 | 120.76 (17) |
| C34—C33—H33 | 122.3 (10) | C53—C52—H52 | 119.6 |
| C32—C33—H33 | 119.2 (10) | C51—C52—H52 | 119.6 |
| C33—C32—C37 | 118.90 (16) | C54—C53—C52 | 122.15 (16) |
| C33—C32—C31 | 134.73 (15) | C54—C53—H53 | 118.9 |
| C37—C32—C31 | 106.34 (15) | C52—C53—H53 | 118.9 |
| C38—C31—C32 | 106.48 (14) | C53—C54—C55 | 116.79 (16) |
| C38—C31—C3 | 125.98 (15) | C53—C54—C6 | 121.17 (16) |
| C32—C31—C3 | 127.46 (15) | C55—C54—C6 | 121.95 (17) |
| C2—C3—O1 | 112.70 (13) | C56—C55—C54 | 121.53 (17) |
| C2—C3—C31 | 132.15 (15) | C56—C55—H55 | 119.2 |
| O1—C3—C31 | 115.13 (13) | C54—C55—H55 | 119.2 |
| C3—C2—C1 | 125.62 (14) | C51—C56—C55 | 121.00 (15) |
| C3—C2—C5 | 110.44 (13) | C51—C56—H56 | 118.8 (9) |
| C1—C2—C5 | 123.86 (14) | C55—C56—H56 | 120.2 (9) |
| N1—C1—C2 | 178.90 (18) | C8—C6—C54 | 113.64 (18) |
| C51—C5—C2 | 112.23 (12) | C8—C6—C7 | 112.2 (2) |
| C51—C5—C4 | 115.45 (13) | C54—C6—C7 | 109.29 (17) |
| C2—C5—C4 | 99.01 (11) | C8—C6—H6 | 107.1 |
| C51—C5—H5 | 109.9 | C54—C6—H6 | 107.1 |
| C2—C5—H5 | 109.9 | C7—C6—H6 | 107.1 |
| C4—C5—H5 | 109.9 | C6—C7—H7A | 109.5 |
| O1—C4—C41 | 109.06 (12) | C6—C7—H7B | 109.5 |
| O1—C4—C5 | 107.08 (11) | H7A—C7—H7B | 109.5 |
| C41—C4—C5 | 112.38 (12) | C6—C7—H7C | 109.5 |
| O1—C4—H4 | 109.4 | H7A—C7—H7C | 109.5 |
| C41—C4—H4 | 109.4 | H7B—C7—H7C | 109.5 |
| C5—C4—H4 | 109.4 | C6—C8—H8A | 109.5 |
| O2—C41—C42 | 121.68 (15) | C6—C8—H8B | 109.5 |
| O2—C41—C4 | 120.35 (14) | H8A—C8—H8B | 109.5 |
| C42—C41—C4 | 117.96 (13) | C6—C8—H8C | 109.5 |
| C47—C42—C43 | 118.59 (15) | H8A—C8—H8C | 109.5 |
| C47—C42—C41 | 118.78 (14) | H8B—C8—H8C | 109.5 |
| C37—N2—C38—C31 | −0.6 (2) | C2—C5—C4—O1 | −15.46 (14) |
| C38—N2—C37—C36 | −179.78 (19) | C51—C5—C4—C41 | −135.75 (13) |
| C38—N2—C37—C32 | 0.6 (2) | C2—C5—C4—C41 | 104.28 (13) |
| N2—C37—C36—C35 | −179.8 (2) | O1—C4—C41—O2 | 7.6 (2) |
| C32—C37—C36—C35 | −0.3 (3) | C5—C4—C41—O2 | −110.94 (17) |
| C37—C36—C35—C34 | −1.0 (3) | O1—C4—C41—C42 | −173.49 (12) |
| C36—C35—C34—C33 | 1.3 (3) | C5—C4—C41—C42 | 67.93 (17) |
| C35—C34—C33—C32 | −0.2 (3) | O2—C41—C42—C47 | 10.5 (2) |
| C34—C33—C32—C37 | −1.0 (3) | C4—C41—C42—C47 | −168.32 (14) |
| C34—C33—C32—C31 | −179.20 (18) | O2—C41—C42—C43 | −168.36 (17) |
| N2—C37—C32—C33 | −179.12 (16) | C4—C41—C42—C43 | 12.8 (2) |
| C36—C37—C32—C33 | 1.3 (3) | C47—C42—C43—C44 | −0.6 (3) |
| N2—C37—C32—C31 | −0.42 (19) | C41—C42—C43—C44 | 178.27 (16) |
| C36—C37—C32—C31 | 179.96 (16) | C42—C43—C44—C45 | 0.5 (3) |
| N2—C38—C31—C32 | 0.32 (19) | C43—C44—C45—C46 | 0.0 (3) |
| N2—C38—C31—C3 | −176.61 (15) | C44—C45—C46—C47 | −0.4 (3) |
| C33—C32—C31—C38 | 178.46 (19) | C45—C46—C47—C42 | 0.3 (3) |
| C37—C32—C31—C38 | 0.07 (18) | C43—C42—C47—C46 | 0.3 (3) |
| C33—C32—C31—C3 | −4.7 (3) | C41—C42—C47—C46 | −178.69 (16) |
| C37—C32—C31—C3 | 176.94 (15) | C2—C5—C51—C56 | 63.99 (19) |
| C4—O1—C3—C2 | −5.21 (17) | C4—C5—C51—C56 | −48.45 (19) |
| C4—O1—C3—C31 | 176.25 (13) | C2—C5—C51—C52 | −113.25 (17) |
| C38—C31—C3—C2 | −23.4 (3) | C4—C5—C51—C52 | 134.30 (16) |
| C32—C31—C3—C2 | 160.29 (17) | C56—C51—C52—C53 | −2.1 (3) |
| C38—C31—C3—O1 | 154.78 (15) | C5—C51—C52—C53 | 175.27 (17) |
| C32—C31—C3—O1 | −21.5 (2) | C51—C52—C53—C54 | −0.1 (3) |
| O1—C3—C2—C1 | 177.33 (14) | C52—C53—C54—C55 | 2.1 (3) |
| C31—C3—C2—C1 | −4.4 (3) | C52—C53—C54—C6 | −174.53 (19) |
| O1—C3—C2—C5 | −5.75 (18) | C53—C54—C55—C56 | −1.9 (3) |
| C31—C3—C2—C5 | 172.48 (16) | C6—C54—C55—C56 | 174.67 (17) |
| C3—C2—C5—C51 | −109.41 (15) | C52—C51—C56—C55 | 2.2 (2) |
| C1—C2—C5—C51 | 67.58 (19) | C5—C51—C56—C55 | −175.12 (14) |
| C3—C2—C5—C4 | 12.92 (16) | C54—C55—C56—C51 | −0.2 (3) |
| C1—C2—C5—C4 | −170.09 (15) | C53—C54—C6—C8 | −133.9 (2) |
| C3—O1—C4—C41 | −108.29 (13) | C55—C54—C6—C8 | 49.6 (3) |
| C3—O1—C4—C5 | 13.55 (15) | C53—C54—C6—C7 | 99.9 (2) |
| C51—C5—C4—O1 | 104.52 (14) | C55—C54—C6—C7 | −76.6 (2) |
| H··· | ||||
| C33—H33···O1 | 0.961 (16) | 2.569 (15) | 3.081 (2) | 113.5 (11) |
| N2—H2···N1i | 0.91 (2) | 2.09 (2) | 2.973 (2) | 165.2 (17) |
| C56—H56···O2ii | 0.978 (15) | 2.411 (16) | 3.371 (2) | 166.9 (13) |
Hydrogen-bond geometry (Å, °)
|
|
| H⋯ |
|
|
|---|---|---|---|---|
| N2—H2⋯N1i | 0.91 (2) | 2.09 (2) | 2.973 (2) | 165.2 (17) |
| C56—H56⋯O2ii | 0.978 (15) | 2.411 (16) | 3.371 (2) | 166.9 (13) |
Symmetry codes: (i) ; (ii) .