Information card for entry 2202744

Structure parameters

• Common name: 4-Chloro-2',6'-dimethyl-4'-hydroxyazobenzene
• Chemical name: 2,6-dimethyl-4-(4-chlorophenyldiazenyl)phenol
• Formula: C14 H13 Cl N2 O
• Calculated formula: C14 H13 Cl N2 O
• SMILES: Clc1ccc(N=Nc2cc(c(O)c(c2)C)C)cc1
• Title of publication: 2,6-Dimethyl-4-(4-chlorophenyldiazenyl)phenol
• Authors of publication: Kocaokutgen, Hasan; Gür, Mahmut; Soylu, M. Serkan; Lörnnecke, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1613 - o1615
• a: 14.618 ± 0.003 Å
• b: 3.9575 ± 0.0008 Å
• c: 21.643 ± 0.004 Å
• α: 90°
• β: 91.887 ± 0.003°
• γ: 90°
• Cell volume: 1251.4 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0509
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes