Information card for entry 2015611

Structure parameters

• Chemical name: 4-Amino-2-chlorobenzohydrazide monohydrate
• Formula: C7 H10 Cl N3 O2
• Calculated formula: C7 H10 Cl N3 O2
• SMILES: c1(c(Cl)cc(N)cc1)C(=O)NN.O
• Title of publication: Four substituted benzohydrazides: hydrogen-bonded structures in one, two and three dimensions
• Authors of publication: Wardell, Solange M. S. V.; Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o618 - o624
• a: 11.1667 ± 0.0004 Å
• b: 6.9936 ± 0.0003 Å
• c: 12.7105 ± 0.0004 Å
• α: 90°
• β: 112.02 ± 0.06°
• γ: 90°
• Cell volume: 920.2 ± 0.4 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: 0.0492
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes