Information card for entry 2221122

Structure parameters

• Chemical name: 2-Hydroxy-<i>N</i>'-(4-isopropylcyclohexylcarbonyl)-3-methylbenzohydrazide
• Formula: C18 H26 N2 O3
• Calculated formula: C18 H26 N2 O3
• SMILES: O=C([C@@H]1CC[C@H](CC1)C(C)C)NNC(=O)c1cccc(c1O)C
• Title of publication: 2-Hydroxy-<i>N</i>'-(4-isopropylcyclohexylcarbonyl)-3-methylbenzohydrazide
• Authors of publication: Shu, Tian-Pin; Wen, Jun-Long; Chen, Su-Zhen; Lei, Ke-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o575
• a: 16.193 ± 0.005 Å
• b: 16.194 ± 0.005 Å
• c: 6.856 ± 0.002 Å
• α: 90°
• β: 97.892 ± 0.004°
• γ: 90°
• Cell volume: 1780.8 ± 0.9 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: 0.0905
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.199
• Weighted residual factors for all reflections included in the refinement: 0.211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes