Information card for entry 2229404

Structure parameters

• Chemical name: <i>N</i>-(4,6-Dimethylpyrimidin-2-yl)-1<i>H</i>-benzimidazol-2-amine
• Formula: C13 H13 N5
• Calculated formula: C13 H13 N5
• SMILES: [nH]1c2ccccc2nc1Nc1nc(cc(n1)C)C
• Title of publication: <i>N</i>-(4,6-Dimethylpyrimidin-2-yl)-1<i>H</i>-benzimidazol-2-amine
• Authors of publication: Mohamed, Shaaban Kamel; El-Remaily, Mahmoud A. A.; Gurbanov, Atash V.; Khalilov, Ali N.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o719
• a: 8.2836 ± 0.0004 Å
• b: 9.6135 ± 0.0005 Å
• c: 16.5694 ± 0.0008 Å
• α: 92.121 ± 0.001°
• β: 96.1 ± 0.001°
• γ: 112.597 ± 0.001°
• Cell volume: 1206.94 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes