Information card for entry 8103360

Structure parameters

• Formula: C18 H16 N2 O4
• Calculated formula: C18 H16 N2 O4
• SMILES: c1(cccc2c1cccc2)/C=N/NC(=O)c1cc(cc(c1)O)O.O
• Title of publication: Crystal structure of 3,5-dihydroxy-N'-(1-naphthyl-methyl)benzohydrazide monohydrate, C18H14N2O3 · H2O
• Authors of publication: Xiao-Rong Li; Shan-Shan Huang; Chuan-Xun Li; Yun-Peng Diao; Hou-Li Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 167
• a: 15.358 ± 0.002 Å
• b: 13.1056 ± 0.0017 Å
• c: 7.9322 ± 0.0011 Å
• α: 90°
• β: 98.144 ± 0.002°
• γ: 90°
• Cell volume: 1580.5 ± 0.4 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: 0.0772
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1691
• 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: No