Information card for entry 2219782

Structure parameters

• Chemical name: 2-hydroxy-4-methyl-<i>N</i>-propanoylbenzohydrazide‒ 2-hydroxy-<i>N</i>-(2-hydroxy-4-methylbenzoyl)-6-methylbenzohydrazide (2/1)
• Formula: C38 H44 N6 O10
• Calculated formula: C38 H44 N6 O10
• SMILES: Cc1ccc(c(c1)O)C(=O)NNC(=O)c1ccc(cc1O)C.CCC(=O)NNC(=O)c1ccc(cc1O)C.CCC(=O)NNC(=O)c1ccc(cc1O)C
• Title of publication: The cocrystal 2-hydroxy-4-methyl-<i>N</i>-propanoylbenzohydrazide‒2-hydroxy-<i>N</i>-(2-hydroxy-4-methylbenzoyl)-6-methylbenzohydrazide (2/1)
• Authors of publication: Feng, Hai-Mei; Wang, Xin; Lei, Ke-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2144
• a: 6.5778 ± 0.001 Å
• b: 10.7618 ± 0.0017 Å
• c: 13.936 ± 0.002 Å
• α: 109.522 ± 0.003°
• β: 93.608 ± 0.001°
• γ: 104.448 ± 0.004°
• Cell volume: 888.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes