Information card for entry 2015973

Structure parameters

• Chemical name: 2,6-Bis[(2-hydroxy-3-methoxybenzylidene)hydrazinocarbonyl]pyridine monohydrate
• Formula: C23 H23 N5 O7
• Calculated formula: C23 H23 N5 O7
• SMILES: c1(cccc(C(=O)N\N=C\c2cccc(c2O)OC)n1)C(=O)N/N=C/c1cccc(c1O)OC.O
• Title of publication: 2,6-Bis[(2-hydroxy-3-methoxybenzylidene)hydrazinocarbonyl]pyridine monohydrate
• Authors of publication: Zhi-Feng Li; Ping Wang; Qian Zhang; Zao-Ming Chen; Chun-Xiang Wang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o369 - o370
• a: 10.184 ± 0.002 Å
• b: 10.842 ± 0.001 Å
• c: 11.034 ± 0.002 Å
• α: 98.72 ± 0.03°
• β: 110.42 ± 0.02°
• γ: 92.42 ± 0.03°
• Cell volume: 1122.6 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.107
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes