Information card for entry 2212206

Structure parameters

• Chemical name: 2-Chlorobenzamide oxime monohydrate
• Formula: C7 H9 Cl N2 O2
• Calculated formula: C7 H9 Cl N2 O2
• SMILES: O.Clc1ccccc1C(N)=NO
• Title of publication: 2-Chlorobenzamide oxime monohydrate
• Authors of publication: Xing, Zhi-Tao; Ding, Wei-Lin; Wang, Hai-Bo; Yin, Jun; Han, Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o1019 - o1020
• a: 4.555 ± 0.0009 Å
• b: 6.879 ± 0.0014 Å
• c: 28.715 ± 0.006 Å
• α: 91.37 ± 0.03°
• β: 90.58 ± 0.03°
• γ: 101.21 ± 0.03°
• Cell volume: 882.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1066
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.191
• 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