Information card for entry 2015609

Structure parameters

• Chemical name: 2,6-Dichlorobenzohydrazide
• Formula: C7 H6 Cl2 N2 O
• Calculated formula: C7 H6 Cl2 N2 O
• SMILES: c1(C(=O)NN)c(Cl)cccc1Cl
• 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: 7.5511 ± 0.0002 Å
• b: 14.4834 ± 0.0004 Å
• c: 8.3097 ± 0.0003 Å
• α: 90°
• β: 110.485 ± 0.002°
• γ: 90°
• Cell volume: 851.33 ± 0.05 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes