Information card for entry 2227846

Structure parameters

• Chemical name: 4-Chloro-2-(6-nitro-1<i>H</i>-benzimidazol-2-yl)phenol <i>N</i>,<i>N</i>-dimethylformamide solvate
• Formula: C16 H15 Cl N4 O4
• Calculated formula: C16 H15 Cl N4 O4
• SMILES: Clc1ccc(O)c(c2[nH]c3cc(N(=O)=O)ccc3n2)c1.O=CN(C)C
• Title of publication: 4-Chloro-2-(6-nitro-1<i>H</i>-benzimidazol-2-yl)phenol <i>N</i>,<i>N</i>-dimethylformamide solvate
• Authors of publication: Farag, Abeer Mohamed; Teoh, Siang Guan; Osman, Hasnah; Yeap, Chin Sing; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2863
• a: 15.2 ± 0.002 Å
• b: 18.355 ± 0.002 Å
• c: 13.279 ± 0.003 Å
• α: 90°
• β: 119.232 ± 0.002°
• γ: 90°
• Cell volume: 3233 ± 0.9 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1845
• Weighted residual factors for all reflections included in the refinement: 0.2008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes