Information card for entry 2015462

Structure parameters

• Chemical name: 2,4-Dimethylbenzaldehyde isonicotinoylhydrazone trihydrate
• Formula: C15 H21 N3 O4
• Calculated formula: C15 H21 N3 O4
• Title of publication: 2,4-Dimethylbenzaldehyde isonicotinoylhydrazone trihydrate: a three-dimensional hydrogen-bonded framework structure
• Authors of publication: Low, John N.; Wardell, Solange M. S. V.; Souza, Marcus V. N. de; Wardell, James L.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o444 - o446
• a: 8.6765 ± 0.0007 Å
• b: 9.0833 ± 0.0006 Å
• c: 11.2901 ± 0.0009 Å
• α: 73.87 ± 0.005°
• β: 82.182 ± 0.004°
• γ: 65.147 ± 0.003°
• Cell volume: 775.41 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1382
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes