Information card for entry 2008357

Structure parameters

• Chemical name: p-Hydroxybenzaldehyde nicotinoylhydrazone monohydrate
• Formula: C13 H13 N3 O3
• Calculated formula: C13 H13 N3 O3
• SMILES: O=C(NN=Cc1ccc(O)cc1)c1cccnc1.O
• Title of publication: <i>p</i>-Hydroxybenzaldehyde nicotinoylhydrazone monohydrate
• Authors of publication: Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak; Zhong-Lin Lu; Bei-Sheng Kang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 574 - 576
• a: 27.7745 ± 0.0012 Å
• b: 7.327 ± 0.0003 Å
• c: 11.9575 ± 0.0005 Å
• α: 90°
• β: 91.126 ± 0.001°
• γ: 90°
• Cell volume: 2432.93 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1211
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes