Information card for entry 2241366

Structure parameters

• Chemical name: 4-{[(2,4-Dihydroxybenzylidene)amino]methyl}cyclohexanecarboxylic acid
• Formula: C15 H19 N O4
• Calculated formula: C15 H19 N O4
• SMILES: OC(=O)C1CCC(CC1)C/N=C/c1c(O)cc(O)cc1
• Title of publication: Crystal structure of 4-{[(2,4-dihydroxybenzylidene)amino]methyl}cyclohexanecarboxylic acid
• Authors of publication: Danish, Muhammad; Akbar, Saba; Tahir, Muhammad Nawaz; Butt, Rabia Ayub; Ashfaq, Muhammad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o995 - o996
• a: 6.2399 ± 0.0017 Å
• b: 10.222 ± 0.002 Å
• c: 22.251 ± 0.006 Å
• α: 90°
• β: 90.232 ± 0.008°
• γ: 90°
• Cell volume: 1419.3 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.17
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.1695
• Weighted residual factors for all reflections included in the refinement: 0.2144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes