Information card for entry 2102760

Structure parameters

• Chemical name: 1-(2-chloronicotinoyl)-2-(4-nitrophenyl)hydrazine
• Formula: C12 H9 Cl N4 O3
• Calculated formula: C12 H9 Cl N4 O3
• SMILES: n1c(Cl)c(ccc1)C(=O)NNc1ccc(N(=O)=O)cc1
• Title of publication: Three isomeric 1-(2-chloronicotinoyl)-2-(nitrophenyl)hydrazines, including three polymorphs of 1-(2-chloronicotinoyl)-2-(2-nitrophenyl)hydrazine: hydrogen-bonded supramolecular structures in two and three dimensions
• Authors of publication: Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: 101 - 110
• a: 4.5811 ± 0.0001 Å
• b: 24.8913 ± 0.0013 Å
• c: 11.2782 ± 0.0006 Å
• α: 90°
• β: 94.095 ± 0.003°
• γ: 90°
• Cell volume: 1282.76 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No