Information card for entry 2015277

Structure parameters

• Chemical name: N,N'-Bis(2-chloronicotinoyl)-N-(3-nitrophenyl)hydrazine monohydrate
• Formula: C18 H13 Cl2 N5 O5
• Calculated formula: C18 H13 Cl2 N5 O5
• SMILES: n1c(Cl)c(ccc1)C(=O)NN(c1cc(N(=O)=O)ccc1)C(=O)c1c(nccc1)Cl.O
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2-chloronicotinoyl)-<i>N</i>-(3-nitrophenyl)hydrazine monohydrate: complex sheets built from O—H···N, N—H···O and C—H···O hydrogen bonds
• Authors of publication: Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o170 - o172
• a: 7.4435 ± 0.0003 Å
• b: 7.8829 ± 0.0005 Å
• c: 16.2657 ± 0.001 Å
• α: 99.564 ± 0.002°
• β: 96.806 ± 0.003°
• γ: 90.842 ± 0.003°
• Cell volume: 933.94 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes