Information card for entry 2235888

Structure parameters

• Chemical name: Phenyl <i>N</i>-(5-chloro-2-nitrophenyl)carbamate
• Formula: C13 H9 Cl N2 O4
• Calculated formula: C13 H9 Cl N2 O4
• SMILES: Clc1cc(NC(=O)Oc2ccccc2)c(N(=O)=O)cc1
• Title of publication: Phenyl <i>N</i>-(5-chloro-2-nitrophenyl)carbamate
• Authors of publication: Zou, Bao-Hua; Fang, Zheng; Zhong, Hui; Kai, Guo; Wei, Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2547
• a: 8.476 ± 0.0017 Å
• b: 5.927 ± 0.0012 Å
• c: 24.996 ± 0.005 Å
• α: 90°
• β: 94.77 ± 0.03°
• γ: 90°
• Cell volume: 1251.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0785
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes