Information card for entry 2209940

Structure parameters

• Chemical name: 5-Chloro-2-nitrobenzaldehyde isonicotinoylhydrazone
• Formula: C13 H9 Cl N4 O3
• Calculated formula: C13 H9 Cl N4 O3
• SMILES: c1(ccncc1)C(=O)N\N=C\c1c(N(=O)=O)ccc(Cl)c1
• Title of publication: 5-Chloro-2-nitrobenzaldehyde isonicotinoylhydrazone: a three-dimensional framework built from N—H···N and C—H···O hydrogen bonds
• Authors of publication: Wardell, Solange M. S. V.; Souza, Marcus V. N. de; Wardell, James L.; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3361 - o3363
• a: 8.0597 ± 0.0002 Å
• b: 10.4797 ± 0.0004 Å
• c: 15.4798 ± 0.0006 Å
• α: 90°
• β: 97.383 ± 0.002°
• γ: 90°
• Cell volume: 1296.63 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.072
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes