| Literature DB >> 21588708 |
Hoong-Kun Fun, Wan-Sin Loh, Balakrishna Kalluraya, Suresh P Nayak.
Abstract
In the title compound {systematic name: 4-[4-eth-oxy-carbonyl-5-(3,4-methyl-ene-dioxy-phen-yl)-3-oxocyclo-hex-1-en-1-yl]-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate}, C(24)H(20)N(2)O(7), the cyclo-hexene and dioxole rings adopt envelope conformations. The sydnone ring and the attached phenyl ring form a dihedral angle of 79.0 (1)°. In the mol-ecular structure, a C-H⋯O hydrogen bond generates an S(6) ring and a C-H⋯π inter-action involving the phenyl ring is observed. In the crystal structure, mol-ecules are linked into a ribbon-like structure along the a axis by C-H⋯O hydrogen bonds.Entities:
Year: 2010 PMID: 21588708 PMCID: PMC3008016 DOI: 10.1107/S1600536810033106
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| C24H20N2O7 | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 5688 reflections | |
| θ = 2.2–30.2° | |
| µ = 0.11 mm−1 | |
| α = 66.860 (1)° | |
| β = 86.545 (1)° | Needle, colourless |
| γ = 71.115 (1)° | 0.37 × 0.13 × 0.06 mm |
| Bruker SMART APEXII CCD area-detector diffractometer | 4703 independent reflections |
| Radiation source: fine-focus sealed tube | 3710 reflections with |
| graphite | |
| φ and ω scans | θmax = 27.5°, θmin = 1.9° |
| Absorption correction: multi-scan ( | |
| 18550 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 | |
| 4703 reflections | (Δ/σ)max = 0.001 |
| 299 parameters | Δρmax = 0.56 e Å−3 |
| 0 restraints | Δρmin = −0.34 e Å−3 |
| Experimental. The crystal was placed in the cold stream of an Oxford Cryosystems Cobra open-flow nitrogen cryostat (Cosier & Glazer, 1986) operating at 100.0 (1) K. |
| 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 | 0.54796 (15) | −0.47982 (12) | 0.24568 (11) | 0.0225 (3) | |
| O2 | 0.09931 (15) | 0.43102 (12) | 0.42387 (11) | 0.0228 (3) | |
| O3 | 0.34786 (15) | 0.29504 (13) | 0.53026 (11) | 0.0244 (3) | |
| O4 | 0.73361 (16) | 0.19987 (13) | 0.20782 (12) | 0.0263 (3) | |
| O5 | 0.63381 (15) | 0.31720 (12) | 0.00796 (11) | 0.0234 (3) | |
| O6 | 0.73888 (15) | −0.39479 (12) | 0.14030 (12) | 0.0249 (3) | |
| O7 | 0.79429 (16) | 0.03513 (13) | 0.01666 (12) | 0.0271 (3) | |
| N1 | 0.39657 (17) | −0.31654 (14) | 0.28604 (13) | 0.0175 (3) | |
| N2 | 0.41071 (19) | −0.43911 (14) | 0.30166 (14) | 0.0227 (3) | |
| C1 | 0.2822 (2) | −0.29087 (18) | 0.47181 (16) | 0.0219 (4) | |
| H1A | 0.3768 | −0.3542 | 0.5175 | 0.026* | |
| C2 | 0.1577 (2) | −0.23095 (19) | 0.52984 (17) | 0.0255 (4) | |
| H2A | 0.1680 | −0.2536 | 0.6152 | 0.031* | |
| C3 | 0.0177 (2) | −0.13688 (19) | 0.45938 (19) | 0.0279 (4) | |
| H3A | −0.0658 | −0.0963 | 0.4980 | 0.033* | |
| C4 | 0.0010 (2) | −0.10279 (19) | 0.33208 (18) | 0.0277 (4) | |
| H4A | −0.0935 | −0.0395 | 0.2861 | 0.033* | |
| C5 | 0.1236 (2) | −0.16201 (18) | 0.27268 (16) | 0.0231 (4) | |
| H5A | 0.1129 | −0.1404 | 0.1875 | 0.028* | |
| C6 | 0.2628 (2) | −0.25450 (16) | 0.34455 (15) | 0.0181 (3) | |
| C7 | 0.6164 (2) | −0.37744 (16) | 0.19344 (15) | 0.0186 (4) | |
| C8 | 0.5132 (2) | −0.26951 (16) | 0.22242 (15) | 0.0165 (3) | |
| C9 | 0.5348 (2) | −0.14190 (16) | 0.19358 (14) | 0.0155 (3) | |
| C10 | 0.4237 (2) | −0.03949 (16) | 0.23803 (15) | 0.0161 (3) | |
| H10A | 0.3924 | −0.0853 | 0.3202 | 0.019* | |
| H10B | 0.3269 | 0.0099 | 0.1819 | 0.019* | |
| C11 | 0.5027 (2) | 0.05872 (17) | 0.24418 (16) | 0.0196 (4) | |
| H11A | 0.5949 | 0.0075 | 0.3064 | 0.023* | |
| C12 | 0.5672 (2) | 0.12241 (17) | 0.11849 (16) | 0.0209 (4) | |
| H12A | 0.4763 | 0.1728 | 0.0550 | 0.025* | |
| C13 | 0.6849 (2) | 0.01333 (18) | 0.08194 (16) | 0.0200 (4) | |
| C14 | 0.6583 (2) | −0.11497 (17) | 0.12458 (15) | 0.0177 (3) | |
| H14A | 0.7294 | −0.1819 | 0.1035 | 0.021* | |
| C15 | 0.3878 (2) | 0.16253 (17) | 0.28630 (16) | 0.0193 (4) | |
| C16 | 0.2380 (2) | 0.24512 (18) | 0.22215 (16) | 0.0225 (4) | |
| H16A | 0.2090 | 0.2370 | 0.1512 | 0.027* | |
| C17 | 0.1295 (2) | 0.34015 (17) | 0.26119 (16) | 0.0212 (4) | |
| H17A | 0.0298 | 0.3947 | 0.2183 | 0.025* | |
| C18 | 0.1795 (2) | 0.34732 (16) | 0.36599 (15) | 0.0180 (4) | |
| C19 | 0.1948 (2) | 0.38560 (18) | 0.53747 (17) | 0.0232 (4) | |
| H19A | 0.1418 | 0.3407 | 0.6080 | 0.028* | |
| H19B | 0.2093 | 0.4608 | 0.5482 | 0.028* | |
| C20 | 0.3280 (2) | 0.26646 (17) | 0.42936 (16) | 0.0190 (4) | |
| C21 | 0.4350 (2) | 0.17364 (17) | 0.39255 (16) | 0.0193 (4) | |
| H21A | 0.5346 | 0.1204 | 0.4362 | 0.023* | |
| C22 | 0.6534 (2) | 0.21628 (17) | 0.11888 (16) | 0.0187 (4) | |
| C23 | 0.7312 (2) | 0.40341 (18) | −0.00653 (18) | 0.0267 (4) | |
| H23A | 0.7349 | 0.4177 | 0.0695 | 0.032* | |
| H23B | 0.6825 | 0.4896 | −0.0740 | 0.032* | |
| C24 | 0.8997 (2) | 0.3393 (2) | −0.0344 (2) | 0.0348 (5) | |
| H24A | 0.9649 | 0.3929 | −0.0374 | 0.052* | |
| H24B | 0.8965 | 0.3325 | −0.1134 | 0.052* | |
| H24C | 0.9450 | 0.2516 | 0.0298 | 0.052* |
| O1 | 0.0288 (7) | 0.0144 (6) | 0.0231 (6) | −0.0049 (5) | 0.0041 (5) | −0.0082 (5) |
| O2 | 0.0216 (6) | 0.0217 (6) | 0.0233 (6) | 0.0021 (5) | 0.0006 (5) | −0.0142 (5) |
| O3 | 0.0209 (7) | 0.0281 (7) | 0.0225 (6) | 0.0006 (5) | −0.0002 (5) | −0.0150 (5) |
| O4 | 0.0303 (7) | 0.0250 (7) | 0.0251 (7) | −0.0094 (6) | 0.0006 (5) | −0.0109 (5) |
| O5 | 0.0281 (7) | 0.0187 (6) | 0.0231 (6) | −0.0081 (5) | 0.0003 (5) | −0.0076 (5) |
| O6 | 0.0263 (7) | 0.0211 (7) | 0.0299 (7) | −0.0048 (5) | 0.0064 (5) | −0.0158 (5) |
| O7 | 0.0295 (7) | 0.0278 (7) | 0.0315 (7) | −0.0141 (6) | 0.0156 (6) | −0.0175 (6) |
| N1 | 0.0233 (8) | 0.0134 (7) | 0.0153 (7) | −0.0058 (6) | 0.0011 (5) | −0.0052 (5) |
| N2 | 0.0304 (9) | 0.0148 (7) | 0.0217 (7) | −0.0066 (6) | 0.0047 (6) | −0.0069 (6) |
| C1 | 0.0248 (9) | 0.0215 (9) | 0.0191 (8) | −0.0096 (7) | 0.0013 (7) | −0.0061 (7) |
| C2 | 0.0312 (10) | 0.0313 (10) | 0.0212 (9) | −0.0166 (9) | 0.0083 (7) | −0.0134 (8) |
| C3 | 0.0280 (10) | 0.0265 (10) | 0.0360 (11) | −0.0117 (8) | 0.0134 (8) | −0.0185 (8) |
| C4 | 0.0237 (10) | 0.0201 (9) | 0.0345 (10) | −0.0037 (8) | 0.0019 (8) | −0.0087 (8) |
| C5 | 0.0281 (10) | 0.0198 (9) | 0.0193 (8) | −0.0082 (8) | 0.0008 (7) | −0.0053 (7) |
| C6 | 0.0221 (9) | 0.0152 (8) | 0.0200 (8) | −0.0087 (7) | 0.0053 (7) | −0.0085 (6) |
| C7 | 0.0246 (9) | 0.0138 (8) | 0.0166 (8) | −0.0040 (7) | −0.0021 (7) | −0.0062 (6) |
| C8 | 0.0190 (8) | 0.0156 (8) | 0.0150 (8) | −0.0039 (7) | 0.0010 (6) | −0.0074 (6) |
| C9 | 0.0185 (8) | 0.0149 (8) | 0.0125 (7) | −0.0032 (6) | −0.0018 (6) | −0.0062 (6) |
| C10 | 0.0179 (8) | 0.0141 (8) | 0.0167 (8) | −0.0044 (6) | 0.0029 (6) | −0.0073 (6) |
| C11 | 0.0216 (9) | 0.0179 (8) | 0.0210 (8) | −0.0062 (7) | 0.0035 (7) | −0.0099 (7) |
| C12 | 0.0238 (9) | 0.0194 (9) | 0.0214 (9) | −0.0073 (7) | 0.0028 (7) | −0.0101 (7) |
| C13 | 0.0225 (9) | 0.0232 (9) | 0.0188 (8) | −0.0086 (7) | 0.0044 (7) | −0.0122 (7) |
| C14 | 0.0200 (8) | 0.0175 (8) | 0.0172 (8) | −0.0032 (7) | 0.0023 (6) | −0.0109 (6) |
| C15 | 0.0199 (9) | 0.0152 (8) | 0.0237 (9) | −0.0068 (7) | 0.0083 (7) | −0.0086 (7) |
| C16 | 0.0287 (10) | 0.0235 (9) | 0.0203 (8) | −0.0105 (8) | 0.0051 (7) | −0.0127 (7) |
| C17 | 0.0220 (9) | 0.0183 (9) | 0.0211 (9) | −0.0046 (7) | 0.0013 (7) | −0.0070 (7) |
| C18 | 0.0199 (9) | 0.0129 (8) | 0.0207 (8) | −0.0036 (7) | 0.0070 (7) | −0.0081 (6) |
| C19 | 0.0234 (9) | 0.0227 (9) | 0.0235 (9) | −0.0024 (7) | 0.0021 (7) | −0.0132 (7) |
| C20 | 0.0212 (9) | 0.0164 (8) | 0.0195 (8) | −0.0063 (7) | 0.0043 (7) | −0.0075 (6) |
| C21 | 0.0179 (8) | 0.0151 (8) | 0.0225 (9) | −0.0033 (7) | 0.0041 (7) | −0.0071 (7) |
| C22 | 0.0187 (8) | 0.0175 (8) | 0.0210 (8) | −0.0038 (7) | 0.0051 (7) | −0.0108 (7) |
| C23 | 0.0346 (11) | 0.0187 (9) | 0.0287 (10) | −0.0136 (8) | 0.0014 (8) | −0.0071 (7) |
| C24 | 0.0315 (11) | 0.0345 (12) | 0.0395 (12) | −0.0176 (9) | 0.0060 (9) | −0.0107 (9) |
| O1—N2 | 1.3739 (19) | C10—C11 | 1.532 (2) |
| O1—C7 | 1.405 (2) | C10—H10A | 0.97 |
| O2—C18 | 1.379 (2) | C10—H10B | 0.97 |
| O2—C19 | 1.432 (2) | C11—C15 | 1.521 (2) |
| O3—C20 | 1.378 (2) | C11—C12 | 1.531 (2) |
| O3—C19 | 1.434 (2) | C11—H11A | 0.98 |
| O4—C22 | 1.210 (2) | C12—C22 | 1.509 (2) |
| O5—C22 | 1.333 (2) | C12—C13 | 1.536 (2) |
| O5—C23 | 1.466 (2) | C12—H12A | 0.98 |
| O6—C7 | 1.211 (2) | C13—C14 | 1.455 (2) |
| O7—C13 | 1.221 (2) | C14—H14A | 0.93 |
| N1—N2 | 1.314 (2) | C15—C16 | 1.397 (3) |
| N1—C8 | 1.361 (2) | C15—C21 | 1.399 (2) |
| N1—C6 | 1.452 (2) | C16—C17 | 1.408 (2) |
| C1—C6 | 1.384 (2) | C16—H16A | 0.93 |
| C1—C2 | 1.388 (3) | C17—C18 | 1.368 (2) |
| C1—H1A | 0.93 | C17—H17A | 0.93 |
| C2—C3 | 1.389 (3) | C18—C20 | 1.383 (2) |
| C2—H2A | 0.93 | C19—H19A | 0.97 |
| C3—C4 | 1.387 (3) | C19—H19B | 0.97 |
| C3—H3A | 0.93 | C20—C21 | 1.370 (2) |
| C4—C5 | 1.385 (3) | C21—H21A | 0.93 |
| C4—H4A | 0.93 | C23—C24 | 1.508 (3) |
| C5—C6 | 1.385 (2) | C23—H23A | 0.97 |
| C5—H5A | 0.9300 | C23—H23B | 0.97 |
| C7—C8 | 1.431 (2) | C24—H24A | 0.96 |
| C8—C9 | 1.446 (2) | C24—H24B | 0.96 |
| C9—C14 | 1.358 (2) | C24—H24C | 0.96 |
| C9—C10 | 1.514 (2) | ||
| N2—O1—C7 | 110.82 (12) | C11—C12—C13 | 110.07 (14) |
| C18—O2—C19 | 105.46 (13) | C22—C12—H12A | 108.5 |
| C20—O3—C19 | 105.33 (13) | C11—C12—H12A | 108.5 |
| C22—O5—C23 | 115.58 (14) | C13—C12—H12A | 108.5 |
| N2—N1—C8 | 115.22 (14) | O7—C13—C14 | 121.36 (16) |
| N2—N1—C6 | 114.75 (14) | O7—C13—C12 | 120.91 (16) |
| C8—N1—C6 | 129.96 (14) | C14—C13—C12 | 117.71 (15) |
| N1—N2—O1 | 104.74 (13) | C9—C14—C13 | 123.30 (16) |
| C6—C1—C2 | 118.67 (17) | C9—C14—H14A | 118.4 |
| C6—C1—H1A | 120.7 | C13—C14—H14A | 118.4 |
| C2—C1—H1A | 120.7 | C16—C15—C21 | 119.99 (16) |
| C1—C2—C3 | 119.48 (17) | C16—C15—C11 | 121.71 (16) |
| C1—C2—H2A | 120.3 | C21—C15—C11 | 118.30 (15) |
| C3—C2—H2A | 120.3 | C15—C16—C17 | 122.31 (16) |
| C4—C3—C2 | 120.67 (18) | C15—C16—H16A | 118.8 |
| C4—C3—H3A | 119.7 | C17—C16—H16A | 118.8 |
| C2—C3—H3A | 119.7 | C18—C17—C16 | 115.96 (16) |
| C5—C4—C3 | 120.66 (18) | C18—C17—H17A | 122.0 |
| C5—C4—H4A | 119.7 | C16—C17—H17A | 122.0 |
| C3—C4—H4A | 119.7 | C17—C18—O2 | 128.32 (16) |
| C6—C5—C4 | 117.67 (17) | C17—C18—C20 | 121.97 (16) |
| C6—C5—H5A | 121.2 | O2—C18—C20 | 109.71 (15) |
| C4—C5—H5A | 121.2 | O2—C19—O3 | 107.89 (13) |
| C1—C6—C5 | 122.84 (16) | O2—C19—H19A | 110.1 |
| C1—C6—N1 | 117.38 (15) | O3—C19—H19A | 110.1 |
| C5—C6—N1 | 119.77 (15) | O2—C19—H19B | 110.1 |
| O6—C7—O1 | 120.52 (15) | O3—C19—H19B | 110.1 |
| O6—C7—C8 | 134.77 (16) | H19A—C19—H19B | 108.4 |
| O1—C7—C8 | 104.70 (14) | C21—C20—O3 | 127.31 (16) |
| N1—C8—C7 | 104.51 (14) | C21—C20—C18 | 122.79 (16) |
| N1—C8—C9 | 128.77 (15) | O3—C20—C18 | 109.90 (15) |
| C7—C8—C9 | 126.68 (15) | C20—C21—C15 | 116.97 (16) |
| C14—C9—C8 | 118.32 (15) | C20—C21—H21A | 121.5 |
| C14—C9—C10 | 120.05 (15) | C15—C21—H21A | 121.5 |
| C8—C9—C10 | 121.62 (14) | O4—C22—O5 | 124.34 (16) |
| C9—C10—C11 | 112.31 (14) | O4—C22—C12 | 124.18 (16) |
| C9—C10—H10A | 109.1 | O5—C22—C12 | 111.46 (14) |
| C11—C10—H10A | 109.1 | O5—C23—C24 | 109.97 (15) |
| C9—C10—H10B | 109.1 | O5—C23—H23A | 109.7 |
| C11—C10—H10B | 109.1 | C24—C23—H23A | 109.7 |
| H10A—C10—H10B | 107.9 | O5—C23—H23B | 109.7 |
| C15—C11—C12 | 112.34 (14) | C24—C23—H23B | 109.7 |
| C15—C11—C10 | 111.42 (14) | H23A—C23—H23B | 108.2 |
| C12—C11—C10 | 109.94 (14) | C23—C24—H24A | 109.5 |
| C15—C11—H11A | 107.6 | C23—C24—H24B | 109.5 |
| C12—C11—H11A | 107.6 | H24A—C24—H24B | 109.5 |
| C10—C11—H11A | 107.6 | C23—C24—H24C | 109.5 |
| C22—C12—C11 | 113.06 (14) | H24A—C24—H24C | 109.5 |
| C22—C12—C13 | 108.19 (14) | H24B—C24—H24C | 109.5 |
| C8—N1—N2—O1 | 0.58 (18) | C11—C12—C13—O7 | −151.39 (16) |
| C6—N1—N2—O1 | −176.69 (13) | C22—C12—C13—C14 | 154.41 (15) |
| C7—O1—N2—N1 | −0.90 (17) | C11—C12—C13—C14 | 30.4 (2) |
| C6—C1—C2—C3 | 0.1 (3) | C8—C9—C14—C13 | 175.29 (15) |
| C1—C2—C3—C4 | 0.2 (3) | C10—C9—C14—C13 | −4.6 (2) |
| C2—C3—C4—C5 | 0.1 (3) | O7—C13—C14—C9 | −177.63 (16) |
| C3—C4—C5—C6 | −0.7 (3) | C12—C13—C14—C9 | 0.5 (2) |
| C2—C1—C6—C5 | −0.8 (3) | C12—C11—C15—C16 | 66.7 (2) |
| C2—C1—C6—N1 | 178.54 (15) | C10—C11—C15—C16 | −57.2 (2) |
| C4—C5—C6—C1 | 1.1 (3) | C12—C11—C15—C21 | −113.64 (17) |
| C4—C5—C6—N1 | −178.24 (15) | C10—C11—C15—C21 | 122.49 (16) |
| N2—N1—C6—C1 | 78.33 (19) | C21—C15—C16—C17 | −0.7 (3) |
| C8—N1—C6—C1 | −98.4 (2) | C11—C15—C16—C17 | 178.99 (16) |
| N2—N1—C6—C5 | −102.29 (18) | C15—C16—C17—C18 | 0.2 (3) |
| C8—N1—C6—C5 | 80.9 (2) | C16—C17—C18—O2 | 179.39 (16) |
| N2—O1—C7—O6 | 179.69 (15) | C16—C17—C18—C20 | 0.3 (3) |
| N2—O1—C7—C8 | 0.88 (17) | C19—O2—C18—C17 | 172.59 (18) |
| N2—N1—C8—C7 | −0.05 (19) | C19—O2—C18—C20 | −8.19 (18) |
| C6—N1—C8—C7 | 176.72 (15) | C18—O2—C19—O3 | 12.89 (18) |
| N2—N1—C8—C9 | −177.79 (16) | C20—O3—C19—O2 | −12.72 (18) |
| C6—N1—C8—C9 | −1.0 (3) | C19—O3—C20—C21 | −172.51 (17) |
| O6—C7—C8—N1 | −179.06 (19) | C19—O3—C20—C18 | 7.75 (18) |
| O1—C7—C8—N1 | −0.50 (17) | C17—C18—C20—C21 | −0.2 (3) |
| O6—C7—C8—C9 | −1.3 (3) | O2—C18—C20—C21 | −179.48 (15) |
| O1—C7—C8—C9 | 177.31 (15) | C17—C18—C20—O3 | 179.55 (15) |
| N1—C8—C9—C14 | −177.80 (16) | O2—C18—C20—O3 | 0.27 (19) |
| C7—C8—C9—C14 | 4.9 (3) | O3—C20—C21—C15 | 180.00 (16) |
| N1—C8—C9—C10 | 2.0 (3) | C18—C20—C21—C15 | −0.3 (3) |
| C7—C8—C9—C10 | −175.23 (15) | C16—C15—C21—C20 | 0.7 (2) |
| C14—C9—C10—C11 | −23.1 (2) | C11—C15—C21—C20 | −178.98 (15) |
| C8—C9—C10—C11 | 157.03 (15) | C23—O5—C22—O4 | 6.4 (2) |
| C9—C10—C11—C15 | 178.75 (14) | C23—O5—C22—C12 | −171.70 (14) |
| C9—C10—C11—C12 | 53.54 (18) | C11—C12—C22—O4 | 34.7 (2) |
| C15—C11—C12—C22 | 57.8 (2) | C13—C12—C22—O4 | −87.5 (2) |
| C10—C11—C12—C22 | −177.53 (14) | C11—C12—C22—O5 | −147.17 (15) |
| C15—C11—C12—C13 | 178.89 (14) | C13—C12—C22—O5 | 90.67 (17) |
| C10—C11—C12—C13 | −56.42 (18) | C22—O5—C23—C24 | 80.80 (19) |
| C22—C12—C13—O7 | −27.4 (2) |
| Cg1 is the centroid of the C1–C6 ring. |
| H··· | ||||
| C4—H4A···O4i | 0.93 | 2.49 | 3.304 (3) | 146 |
| C5—H5A···O7ii | 0.93 | 2.44 | 3.258 (2) | 146 |
| C14—H14A···O6 | 0.93 | 2.29 | 2.998 (2) | 133 |
| C10—H10A···Cg1 | 0.97 | 2.48 | 3.570 (2) | 133 |
Hydrogen-bond geometry (Å, °)
Cg1 is the centroid of the C1–C6 ring.
| H⋯ | ||||
|---|---|---|---|---|
| C4—H4 | 0.93 | 2.49 | 3.304 (3) | 146 |
| C5—H5 | 0.93 | 2.44 | 3.258 (2) | 146 |
| C14—H14 | 0.93 | 2.29 | 2.998 (2) | 133 |
| C10—H10 | 0.97 | 2.48 | 3.570 (2) | 133 |
Symmetry codes: (i) ; (ii) .