Information card for entry 2227761

Structure parameters

• Chemical name: <i>N</i>^2^-(4-Chlorobenzylidene)-4-nitrobenzene-1,2-diamine
• Formula: C13 H10 Cl N3 O2
• Calculated formula: C13 H10 Cl N3 O2
• SMILES: Clc1ccc(cc1)/C=N/c1c(N)ccc(N(=O)=O)c1
• Title of publication: <i>N</i>^2^-(4-Chlorobenzylidene)-4-nitrobenzene-1,2-diamine
• Authors of publication: Farag, Abeer Mohamed; Guan, Teoh Siang; Osman, Hasnah; Rosli, Mohd Mustaqim; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2220
• a: 16.969 ± 0.002 Å
• b: 3.7852 ± 0.0005 Å
• c: 19.986 ± 0.003 Å
• α: 90°
• β: 112.373 ± 0.003°
• γ: 90°
• Cell volume: 1187.1 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0627
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes