Information card for entry 2200441

Structure parameters

• Formula: C11 H9 Cl N4
• Calculated formula: C11 H9 Cl N4
• SMILES: Clc1cc2n(N)c(nc2cc1)c1[nH]ccc1
• Title of publication: 1-Amino-6-chloro-2-(1<i>H</i>-pyrrol-2-yl)benzimidazole (RS 1350)
• Authors of publication: Pifferi, Augusto; Camalli, Mercedes; Silvestri, Romano; De Martino, Gabriella; Massa, Silvio; Artico, Marino
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: o819 - o821
• a: 10.065 ± 0.002 Å
• b: 23.178 ± 0.004 Å
• c: 9.077 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2117.5 ± 0.9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections: 0.97
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No