Information card for entry 2232160

Structure parameters

• Chemical name: <i>N</i>-(3-Chlorophenyl)-4-methylbenzamide hemihydrate
• Formula: C14 H13 Cl N O1.5
• Calculated formula: C14 H13 Cl N O1.5
• Title of publication: <i>N</i>-(3-Chlorophenyl)-4-methylbenzamide hemihydrate
• Authors of publication: Rodrigues, Vinola Z.; Kucková, Lenka; Gowda, B. Thimme; Kožíšek, Jozef
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2899
• a: 7.8078 ± 0.0003 Å
• b: 12.1704 ± 0.0005 Å
• c: 27.1217 ± 0.0009 Å
• α: 90°
• β: 93.564 ± 0.003°
• γ: 90°
• Cell volume: 2572.23 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1133
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes