| Literature DB >> 22091069 |
Ilana Engelbrecht1, Hendrik G Visser, Andreas Roodt.
Abstract
In the title compound, C(28)H(27)NP(2), the N atom adopts an almost planar geometry with the two P atoms and the C atom attached to it, with a distance of 0.066 (2) Å between the N atom and the C/P/P plane. The distorted trigonal-pyramidal geometry of the N atom is further illustrated by bond angles ranging between 115.22 (11) and 123.53 (8)°. Bond angles varying from 99.99 (9) to 108.07 (9) ° are indicative of the distorted pyramidal environment around the P atoms. An intra-molecular C-H⋯P hydrogen bond occurs. In the crystal, inter-molecular C-H⋯π inter-actions link the mol-ecules into a supra-molecular network.Entities:
Year: 2011 PMID: 22091069 PMCID: PMC3213490 DOI: 10.1107/S1600536811027656
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| C28H27NP2 | |
| Monoclinic, | Mo |
| Hall symbol: P 2yb | Cell parameters from 9952 reflections |
| θ = 2.7–28.3° | |
| µ = 0.21 mm−1 | |
| β = 94.245 (5)° | Cuboid, colourless |
| 0.32 × 0.12 × 0.04 mm | |
| Bruker X8 APEXII 4K KappaCCD diffractometer | 3035 independent reflections |
| Radiation source: fine-focus sealed tube | 2930 reflections with |
| graphite | |
| ω and φ scans | θmax = 28.4°, θmin = 2.2° |
| Absorption correction: multi-scan ( | |
| 20748 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 | |
| 3035 reflections | (Δ/σ)max = 0.001 |
| 281 parameters | Δρmax = 0.25 e Å−3 |
| 1 restraint | Δρmin = −0.18 e Å−3 |
| Experimental. The intensity data were collected on a Bruker X8 ApexII 4 K Kappa CCD diffractometer using an exposure time of 40 s/frame. A total of 1709 frames were collected with a frame width of 0.5° covering up to θ = 28.39° with 99.9% completeness accomplished. |
| Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes. |
| Refinement. Refinement of |
| C1 | 0.63564 (17) | 0.73665 (19) | 0.12318 (13) | 0.0161 (3) | |
| H1 | 0.7182 | 0.7791 | 0.1657 | 0.019* | |
| C2 | 0.6829 (2) | 0.5945 (2) | 0.08102 (15) | 0.0227 (4) | |
| H2A | 0.7631 | 0.5515 | 0.1244 | 0.027* | |
| H2B | 0.6039 | 0.528 | 0.0666 | 0.027* | |
| C3 | 0.72812 (19) | 0.6710 (2) | −0.01884 (14) | 0.0243 (4) | |
| H3A | 0.8308 | 0.694 | −0.016 | 0.029* | |
| H3B | 0.697 | 0.6245 | −0.0864 | 0.029* | |
| C4 | 0.63230 (18) | 0.7937 (2) | 0.00897 (13) | 0.0202 (3) | |
| H4A | 0.6781 | 0.8854 | 0.0035 | 0.024* | |
| H4B | 0.5366 | 0.7926 | −0.0291 | 0.024* | |
| C11 | 0.61059 (17) | 0.96900 (19) | 0.30492 (14) | 0.0170 (3) | |
| C12 | 0.59621 (18) | 1.04878 (19) | 0.21255 (13) | 0.0185 (3) | |
| H12 | 0.5452 | 1.0127 | 0.151 | 0.022* | |
| C13 | 0.65569 (17) | 1.1803 (2) | 0.20966 (14) | 0.0207 (3) | |
| H13 | 0.6468 | 1.2325 | 0.1458 | 0.025* | |
| C14 | 0.72805 (19) | 1.2358 (2) | 0.29965 (16) | 0.0238 (4) | |
| H14 | 0.7687 | 1.3257 | 0.2977 | 0.029* | |
| C15 | 0.7403 (2) | 1.1586 (2) | 0.39223 (15) | 0.0259 (4) | |
| H15 | 0.7887 | 1.1963 | 0.4542 | 0.031* | |
| C16 | 0.68275 (19) | 1.0269 (2) | 0.39524 (14) | 0.0223 (4) | |
| H16 | 0.6923 | 0.9752 | 0.4593 | 0.027* | |
| C21 | 0.67262 (18) | 0.69892 (19) | 0.37827 (13) | 0.0177 (3) | |
| C22 | 0.81721 (19) | 0.7224 (2) | 0.36534 (13) | 0.0204 (3) | |
| H22 | 0.845 | 0.7973 | 0.3228 | 0.024* | |
| C23 | 0.9200 (2) | 0.6362 (2) | 0.41469 (14) | 0.0249 (4) | |
| H23 | 1.0179 | 0.6522 | 0.4053 | 0.03* | |
| C24 | 0.8808 (2) | 0.5268 (2) | 0.47773 (14) | 0.0283 (4) | |
| H24 | 0.9515 | 0.4673 | 0.5103 | 0.034* | |
| C25 | 0.7388 (2) | 0.5049 (2) | 0.49284 (14) | 0.0270 (4) | |
| H25 | 0.7118 | 0.431 | 0.5366 | 0.032* | |
| C26 | 0.6354 (2) | 0.5909 (2) | 0.44406 (14) | 0.0216 (4) | |
| H26 | 0.5381 | 0.5759 | 0.4556 | 0.026* | |
| C31 | 0.21248 (16) | 0.8079 (2) | 0.13397 (12) | 0.0165 (3) | |
| C32 | 0.17680 (19) | 0.8748 (2) | 0.22612 (14) | 0.0227 (4) | |
| H32 | 0.232 | 0.8584 | 0.2909 | 0.027* | |
| C33 | 0.0619 (2) | 0.9650 (2) | 0.22457 (16) | 0.0249 (4) | |
| H33 | 0.0406 | 1.0117 | 0.2876 | 0.03* | |
| C34 | −0.02202 (19) | 0.9870 (2) | 0.13090 (16) | 0.0241 (4) | |
| H34 | −0.1016 | 1.0474 | 0.13 | 0.029* | |
| C35 | 0.0110 (2) | 0.9203 (2) | 0.03906 (15) | 0.0251 (4) | |
| H35 | −0.0464 | 0.9348 | −0.025 | 0.03* | |
| C36 | 0.12781 (18) | 0.8322 (2) | 0.04019 (13) | 0.0206 (4) | |
| H36 | 0.1504 | 0.7879 | −0.0235 | 0.025* | |
| C41 | 0.30058 (17) | 0.54508 (18) | 0.21428 (12) | 0.0156 (3) | |
| C42 | 0.40188 (18) | 0.45205 (19) | 0.25833 (14) | 0.0188 (3) | |
| H42 | 0.4998 | 0.467 | 0.2484 | 0.023* | |
| C43 | 0.3623 (2) | 0.33809 (19) | 0.31634 (14) | 0.0219 (4) | |
| H43 | 0.4331 | 0.2773 | 0.3472 | 0.026* | |
| C44 | 0.2191 (2) | 0.3130 (2) | 0.32932 (14) | 0.0244 (4) | |
| H44 | 0.1914 | 0.2351 | 0.3687 | 0.029* | |
| C45 | 0.11719 (19) | 0.4034 (2) | 0.28400 (15) | 0.0250 (4) | |
| H45 | 0.0191 | 0.3861 | 0.2915 | 0.03* | |
| C46 | 0.15723 (19) | 0.5188 (2) | 0.22774 (14) | 0.0208 (3) | |
| H46 | 0.0864 | 0.5804 | 0.1982 | 0.025* | |
| N1 | 0.50881 (15) | 0.74590 (16) | 0.18514 (11) | 0.0153 (3) | |
| P1 | 0.52394 (4) | 0.79965 (6) | 0.31465 (3) | 0.01550 (9) | |
| P2 | 0.35464 (4) | 0.67934 (6) | 0.12377 (3) | 0.01489 (9) |
| C1 | 0.0156 (7) | 0.0166 (7) | 0.0163 (7) | 0.0007 (6) | 0.0022 (6) | −0.0001 (6) |
| C2 | 0.0231 (9) | 0.0179 (8) | 0.0279 (9) | 0.0032 (7) | 0.0082 (7) | −0.0003 (7) |
| C3 | 0.0249 (9) | 0.0246 (9) | 0.0245 (8) | −0.0014 (8) | 0.0089 (7) | −0.0050 (8) |
| C4 | 0.0210 (8) | 0.0228 (8) | 0.0173 (7) | 0.0008 (7) | 0.0048 (6) | 0.0025 (7) |
| C11 | 0.0123 (7) | 0.0168 (8) | 0.0217 (8) | 0.0012 (6) | 0.0006 (6) | −0.0022 (6) |
| C12 | 0.0183 (8) | 0.0190 (8) | 0.0181 (8) | 0.0025 (6) | 0.0006 (6) | −0.0033 (6) |
| C13 | 0.0183 (8) | 0.0195 (8) | 0.0247 (8) | 0.0016 (7) | 0.0034 (6) | 0.0009 (7) |
| C14 | 0.0177 (8) | 0.0173 (8) | 0.0362 (10) | −0.0002 (7) | 0.0007 (7) | −0.0030 (7) |
| C15 | 0.0217 (9) | 0.0242 (10) | 0.0301 (9) | 0.0021 (7) | −0.0095 (7) | −0.0062 (8) |
| C16 | 0.0239 (9) | 0.0222 (9) | 0.0200 (8) | 0.0037 (7) | −0.0037 (7) | −0.0016 (7) |
| C21 | 0.0202 (8) | 0.0185 (8) | 0.0142 (7) | 0.0002 (7) | −0.0006 (6) | −0.0007 (6) |
| C22 | 0.0218 (8) | 0.0218 (9) | 0.0173 (8) | 0.0007 (7) | −0.0007 (6) | −0.0004 (6) |
| C23 | 0.0221 (9) | 0.0314 (10) | 0.0206 (8) | 0.0062 (7) | −0.0020 (7) | −0.0047 (7) |
| C24 | 0.0395 (11) | 0.0248 (10) | 0.0194 (8) | 0.0130 (9) | −0.0074 (8) | −0.0038 (7) |
| C25 | 0.0448 (12) | 0.0197 (9) | 0.0156 (8) | 0.0007 (8) | −0.0026 (7) | 0.0019 (7) |
| C26 | 0.0278 (9) | 0.0201 (8) | 0.0166 (8) | −0.0038 (7) | −0.0006 (7) | −0.0003 (7) |
| C31 | 0.0139 (7) | 0.0158 (7) | 0.0197 (7) | −0.0015 (6) | 0.0009 (6) | 0.0011 (7) |
| C32 | 0.0213 (8) | 0.0258 (9) | 0.0206 (8) | 0.0038 (7) | −0.0018 (7) | −0.0017 (7) |
| C33 | 0.0232 (9) | 0.0237 (9) | 0.0282 (9) | 0.0033 (7) | 0.0049 (7) | −0.0031 (7) |
| C34 | 0.0164 (8) | 0.0206 (9) | 0.0356 (10) | 0.0017 (7) | 0.0039 (7) | 0.0055 (8) |
| C35 | 0.0207 (8) | 0.0276 (10) | 0.0262 (9) | −0.0003 (7) | −0.0038 (7) | 0.0071 (8) |
| C36 | 0.0192 (8) | 0.0239 (9) | 0.0186 (8) | −0.0018 (6) | 0.0001 (6) | 0.0006 (6) |
| C41 | 0.0180 (8) | 0.0145 (7) | 0.0144 (7) | −0.0018 (6) | 0.0017 (6) | −0.0027 (6) |
| C42 | 0.0164 (8) | 0.0185 (8) | 0.0216 (8) | 0.0000 (6) | 0.0025 (6) | −0.0016 (6) |
| C43 | 0.0242 (9) | 0.0194 (9) | 0.0223 (8) | 0.0017 (7) | 0.0026 (7) | 0.0018 (7) |
| C44 | 0.0297 (9) | 0.0185 (8) | 0.0257 (8) | −0.0056 (8) | 0.0074 (7) | 0.0011 (7) |
| C45 | 0.0187 (8) | 0.0247 (9) | 0.0323 (10) | −0.0052 (7) | 0.0073 (7) | −0.0018 (8) |
| C46 | 0.0181 (8) | 0.0212 (8) | 0.0231 (8) | −0.0006 (7) | 0.0010 (6) | −0.0014 (7) |
| N1 | 0.0135 (6) | 0.0178 (7) | 0.0146 (6) | −0.0015 (5) | 0.0012 (5) | −0.0021 (5) |
| P1 | 0.01451 (19) | 0.0175 (2) | 0.01444 (18) | −0.00069 (16) | 0.00074 (14) | −0.00094 (16) |
| P2 | 0.01521 (19) | 0.01517 (18) | 0.01420 (18) | −0.00057 (16) | 0.00048 (13) | −0.00147 (16) |
| C1—N1 | 1.478 (2) | C24—C25 | 1.380 (3) |
| C1—C4 | 1.544 (2) | C24—H24 | 0.95 |
| C1—C2 | 1.551 (2) | C25—C26 | 1.389 (3) |
| C1—H1 | 1 | C25—H25 | 0.95 |
| C2—C3 | 1.550 (3) | C26—H26 | 0.95 |
| C2—H2A | 0.99 | C31—C32 | 1.395 (2) |
| C2—H2B | 0.99 | C31—C36 | 1.399 (2) |
| C3—C4 | 1.546 (3) | C31—P2 | 1.838 (2) |
| C3—H3A | 0.99 | C32—C33 | 1.388 (3) |
| C3—H3B | 0.99 | C32—H32 | 0.95 |
| C4—H4A | 0.99 | C33—C34 | 1.390 (3) |
| C4—H4B | 0.99 | C33—H33 | 0.95 |
| C11—C12 | 1.398 (2) | C34—C35 | 1.383 (3) |
| C11—C16 | 1.401 (2) | C34—H34 | 0.95 |
| C11—P1 | 1.837 (2) | C35—C36 | 1.390 (3) |
| C12—C13 | 1.391 (3) | C35—H35 | 0.95 |
| C12—H12 | 0.95 | C36—H36 | 0.95 |
| C13—C14 | 1.390 (3) | C41—C46 | 1.396 (2) |
| C13—H13 | 0.95 | C41—C42 | 1.396 (2) |
| C14—C15 | 1.386 (3) | C41—P2 | 1.8271 (19) |
| C14—H14 | 0.95 | C42—C43 | 1.389 (2) |
| C15—C16 | 1.384 (3) | C42—H42 | 0.95 |
| C15—H15 | 0.95 | C43—C44 | 1.391 (3) |
| C16—H16 | 0.95 | C43—H43 | 0.95 |
| C21—C26 | 1.396 (2) | C44—C45 | 1.389 (3) |
| C21—C22 | 1.401 (3) | C44—H44 | 0.95 |
| C21—P1 | 1.8404 (19) | C45—C46 | 1.390 (3) |
| C22—C23 | 1.389 (3) | C45—H45 | 0.95 |
| C22—H22 | 0.95 | C46—H46 | 0.95 |
| C23—C24 | 1.390 (3) | N1—P1 | 1.7138 (15) |
| C23—H23 | 0.95 | N1—P2 | 1.7192 (16) |
| N1—C1—C4 | 120.84 (14) | C23—C24—H24 | 120.1 |
| N1—C1—C2 | 119.96 (14) | C24—C25—C26 | 120.05 (18) |
| C4—C1—C2 | 88.95 (13) | C24—C25—H25 | 120 |
| N1—C1—H1 | 108.5 | C26—C25—H25 | 120 |
| C4—C1—H1 | 108.5 | C25—C26—C21 | 120.91 (18) |
| C2—C1—H1 | 108.5 | C25—C26—H26 | 119.5 |
| C3—C2—C1 | 87.72 (14) | C21—C26—H26 | 119.5 |
| C3—C2—H2A | 114 | C32—C31—C36 | 118.23 (16) |
| C1—C2—H2A | 114 | C32—C31—P2 | 126.41 (13) |
| C3—C2—H2B | 114 | C36—C31—P2 | 115.22 (13) |
| C1—C2—H2B | 114 | C33—C32—C31 | 120.98 (17) |
| H2A—C2—H2B | 111.2 | C33—C32—H32 | 119.5 |
| C4—C3—C2 | 88.91 (13) | C31—C32—H32 | 119.5 |
| C4—C3—H3A | 113.8 | C32—C33—C34 | 120.06 (18) |
| C2—C3—H3A | 113.8 | C32—C33—H33 | 120 |
| C4—C3—H3B | 113.8 | C34—C33—H33 | 120 |
| C2—C3—H3B | 113.8 | C35—C34—C33 | 119.69 (17) |
| H3A—C3—H3B | 111.1 | C35—C34—H34 | 120.2 |
| C1—C4—C3 | 88.10 (13) | C33—C34—H34 | 120.2 |
| C1—C4—H4A | 114 | C34—C35—C36 | 120.21 (17) |
| C3—C4—H4A | 114 | C34—C35—H35 | 119.9 |
| C1—C4—H4B | 114 | C36—C35—H35 | 119.9 |
| C3—C4—H4B | 114 | C35—C36—C31 | 120.80 (17) |
| H4A—C4—H4B | 111.2 | C35—C36—H36 | 119.6 |
| C12—C11—C16 | 118.15 (17) | C31—C36—H36 | 119.6 |
| C12—C11—P1 | 122.11 (13) | C46—C41—C42 | 118.17 (16) |
| C16—C11—P1 | 119.48 (14) | C46—C41—P2 | 121.48 (13) |
| C13—C12—C11 | 120.80 (16) | C42—C41—P2 | 119.57 (13) |
| C13—C12—H12 | 119.6 | C43—C42—C41 | 121.28 (16) |
| C11—C12—H12 | 119.6 | C43—C42—H42 | 119.4 |
| C14—C13—C12 | 120.33 (17) | C41—C42—H42 | 119.4 |
| C14—C13—H13 | 119.8 | C42—C43—C44 | 120.01 (17) |
| C12—C13—H13 | 119.8 | C42—C43—H43 | 120 |
| C15—C14—C13 | 119.28 (18) | C44—C43—H43 | 120 |
| C15—C14—H14 | 120.4 | C45—C44—C43 | 119.19 (17) |
| C13—C14—H14 | 120.4 | C45—C44—H44 | 120.4 |
| C16—C15—C14 | 120.65 (17) | C43—C44—H44 | 120.4 |
| C16—C15—H15 | 119.7 | C44—C45—C46 | 120.68 (17) |
| C14—C15—H15 | 119.7 | C44—C45—H45 | 119.7 |
| C15—C16—C11 | 120.78 (18) | C46—C45—H45 | 119.7 |
| C15—C16—H16 | 119.6 | C45—C46—C41 | 120.65 (17) |
| C11—C16—H16 | 119.6 | C45—C46—H46 | 119.7 |
| C26—C21—C22 | 118.63 (16) | C41—C46—H46 | 119.7 |
| C26—C21—P1 | 116.11 (14) | C1—N1—P1 | 120.76 (11) |
| C22—C21—P1 | 125.26 (13) | C1—N1—P2 | 115.22 (11) |
| C23—C22—C21 | 120.07 (17) | P1—N1—P2 | 123.53 (8) |
| C23—C22—H22 | 120 | N1—P1—C11 | 102.24 (8) |
| C21—C22—H22 | 120 | N1—P1—C21 | 105.31 (8) |
| C22—C23—C24 | 120.50 (18) | C11—P1—C21 | 99.99 (9) |
| C22—C23—H23 | 119.7 | N1—P2—C41 | 104.36 (7) |
| C24—C23—H23 | 119.8 | N1—P2—C31 | 108.07 (9) |
| C25—C24—C23 | 119.79 (17) | C41—P2—C31 | 101.44 (8) |
| C25—C24—H24 | 120.1 | ||
| N1—C1—C2—C3 | 144.39 (15) | C42—C43—C44—C45 | −0.2 (3) |
| C4—C1—C2—C3 | 18.85 (13) | C43—C44—C45—C46 | −1.0 (3) |
| C1—C2—C3—C4 | −18.83 (13) | C44—C45—C46—C41 | 1.0 (3) |
| N1—C1—C4—C3 | −143.70 (15) | C42—C41—C46—C45 | 0.3 (3) |
| C2—C1—C4—C3 | −18.90 (13) | P2—C41—C46—C45 | 170.16 (14) |
| C2—C3—C4—C1 | 18.91 (14) | C4—C1—N1—P1 | −134.56 (15) |
| C16—C11—C12—C13 | 1.9 (2) | C2—C1—N1—P1 | 116.81 (15) |
| P1—C11—C12—C13 | 175.95 (13) | C4—C1—N1—P2 | 53.23 (19) |
| C11—C12—C13—C14 | −1.4 (2) | C2—C1—N1—P2 | −55.39 (19) |
| C12—C13—C14—C15 | 0.0 (3) | C1—N1—P1—C11 | 55.96 (14) |
| C13—C14—C15—C16 | 0.7 (3) | P2—N1—P1—C11 | −132.50 (11) |
| C14—C15—C16—C11 | −0.1 (3) | C1—N1—P1—C21 | −48.12 (15) |
| C12—C11—C16—C15 | −1.2 (3) | P2—N1—P1—C21 | 123.42 (11) |
| P1—C11—C16—C15 | −175.36 (14) | C12—C11—P1—N1 | 26.64 (15) |
| C26—C21—C22—C23 | 2.1 (3) | C16—C11—P1—N1 | −159.40 (14) |
| P1—C21—C22—C23 | −177.74 (14) | C12—C11—P1—C21 | 134.85 (14) |
| C21—C22—C23—C24 | −0.4 (3) | C16—C11—P1—C21 | −51.19 (15) |
| C22—C23—C24—C25 | −1.0 (3) | C26—C21—P1—N1 | −104.69 (14) |
| C23—C24—C25—C26 | 0.8 (3) | C22—C21—P1—N1 | 75.13 (17) |
| C24—C25—C26—C21 | 0.9 (3) | C26—C21—P1—C11 | 149.56 (13) |
| C22—C21—C26—C25 | −2.3 (3) | C22—C21—P1—C11 | −30.62 (17) |
| P1—C21—C26—C25 | 177.53 (14) | C1—N1—P2—C41 | 121.40 (12) |
| C36—C31—C32—C33 | −1.1 (3) | P1—N1—P2—C41 | −50.57 (14) |
| P2—C31—C32—C33 | −176.59 (15) | C1—N1—P2—C31 | −131.22 (12) |
| C31—C32—C33—C34 | 1.8 (3) | P1—N1—P2—C31 | 56.81 (13) |
| C32—C33—C34—C35 | −1.0 (3) | C46—C41—P2—N1 | 144.79 (14) |
| C33—C34—C35—C36 | −0.3 (3) | C42—C41—P2—N1 | −45.52 (15) |
| C34—C35—C36—C31 | 0.9 (3) | C46—C41—P2—C31 | 32.56 (16) |
| C32—C31—C36—C35 | −0.2 (3) | C42—C41—P2—C31 | −157.75 (13) |
| P2—C31—C36—C35 | 175.78 (14) | C32—C31—P2—N1 | −50.48 (18) |
| C46—C41—C42—C43 | −1.6 (2) | C36—C31—P2—N1 | 133.95 (13) |
| P2—C41—C42—C43 | −171.62 (13) | C32—C31—P2—C41 | 58.92 (17) |
| C41—C42—C43—C44 | 1.6 (3) | C36—C31—P2—C41 | −116.66 (14) |
| Cg1 and Cg2 are the centroids of the C11–C16 and C21–C26 rings, respectively. |
| H··· | ||||
| C32—H32···P1 | 0.95 | 2.8 | 3.452 (2) | 127. |
| C43—H43···Cg1i | 0.95 | 2.87 | 3.686 (7) | 144 |
| C44—H44···Cg2ii | 0.95 | 2.81 | 3.614 (6) | 143. |
Hydrogen-bond geometry (Å, °)
Cg1 and Cg2 are the centroids of the C11–C16 and C21–C26 rings, respectively.
| H⋯ | ||||
|---|---|---|---|---|
| C32—H32⋯P1 | 0.95 | 2.8 | 3.452 (2) | 127 |
| C43—H43⋯ | 0.95 | 2.87 | 3.686 (7) | 144 |
| C44—H44⋯ | 0.95 | 2.81 | 3.614 (6) | 143 |
Symmetry codes: (i) ; (ii) .