Information card for entry 2211892

Structure parameters

• Chemical name: N-(5-Chloro-2-nitrobenzoyl)-N'-isonicotinoylhydrazine
• Formula: C13 H9 Cl N4 O4
• Calculated formula: C13 H9 Cl N4 O4
• SMILES: n1ccc(cc1)C(=O)NNC(=O)c1c(N(=O)=O)ccc(Cl)c1
• Title of publication: <i>N</i>-(5-Chloro-2-nitrobenzoyl)-<i>N</i>'-isonicotinoylhydrazine: a three-dimensional framework containing four types of hydrogen bond
• Authors of publication: Souza, M. V. N. de; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o230 - o232
• a: 67.786 ± 0.004 Å
• b: 34.613 ± 0.002 Å
• c: 4.6486 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10906.9 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes