Information card for entry 2243925

Structure parameters

• Chemical name: 2,2,2-Trichloro-<i>N</i>,<i>N</i>-bis{[(1<i>RS</i>,4<i>SR</i>)-1,4-dihydro-1,4-epoxynaphthalen-1-yl]methyl}acetamide
• Formula: C24 H18 Cl3 N O3
• Calculated formula: C24 H18 Cl3 N O3
• SMILES: C(=O)(C(Cl)(Cl)Cl)N(C[C@]12C=C[C@H](c3ccccc13)O2)C[C@@]12C=C[C@@H](c3ccccc13)O2
• Title of publication: Crystal structure and Hirshfeld surface analysis of 2,2,2-trichloro-<i>N</i>,<i>N</i>-bis{[(1<i>RS</i>,4<i>SR</i>)-1,4-dihydro-1,4-epoxynaphthalen-1-yl]methyl}acetamide
• Authors of publication: Atioğlu, Zeliha; Akkurt, Mehmet; Mammadova, Gunay Z.; Bhattarai, Ajaya
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 10
• Pages of publication: 1048 - 1053
• a: 15.0134 ± 0.0006 Å
• b: 8.1336 ± 0.0003 Å
• c: 18.2841 ± 0.0006 Å
• α: 90°
• β: 104.307 ± 0.002°
• γ: 90°
• Cell volume: 2163.48 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes