Information card for entry 2225818

Structure parameters

• Chemical name: 2-(4-chlorobenzoyl)-1-(diaminomethylene)hydrazinium chloride monohydrate
• Formula: C8 H12 Cl2 N4 O2
• Calculated formula: C8 H12 Cl2 N4 O2
• SMILES: Clc1ccc(C(=O)NNC(=[NH2+])N)cc1.[Cl-].O
• Title of publication: 2-(4-Chlorobenzoyl)-1-(diaminomethylene)hydrazinium chloride monohydrate
• Authors of publication: Chernyshev, V. M.; Chernysheva, A. V.; Tarasova, E. V.; Ivanov, V. V.; Starikova, Z. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1152 - o1153
• a: 19.349 ± 0.004 Å
• b: 4.3563 ± 0.0009 Å
• c: 14.516 ± 0.003 Å
• α: 90°
• β: 102.36 ± 0.003°
• γ: 90°
• Cell volume: 1195.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0684
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes