Information card for entry 2227798

Structure parameters

• Chemical name: <i>N</i>-(3-chlorophenyl)benzamide
• Formula: C13 H10 Cl N O
• Calculated formula: C13 H10 Cl N O
• SMILES: N(C(=O)c1ccccc1)c1cc(ccc1)Cl
• Title of publication: A monoclinic polymorph of <i>N</i>-(3-chlorophenyl)benzamide
• Authors of publication: Saeed, Aamer; Arshad, Muhammad; Simpson, Jim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2808 - o2809
• a: 12.5598 ± 0.0017 Å
• b: 10.2782 ± 0.0014 Å
• c: 9.0788 ± 0.0013 Å
• α: 90°
• β: 109.421 ± 0.005°
• γ: 90°
• Cell volume: 1105.3 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes