Information card for entry 2237787

Structure parameters

• Chemical name: 1,3-Bis(2-methylprop-2-enoyl)-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one
• Formula: C15 H14 N2 O3
• Calculated formula: C15 H14 N2 O3
• SMILES: O=C(n1c2ccccc2n(c1=O)C(=O)C(=C)C)C(=C)C
• Title of publication: 1,3-Bis(2-methylprop-2-enoyl)-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one
• Authors of publication: Haridharan, N.; Ramkumar, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o818
• a: 16.6359 ± 0.0009 Å
• b: 8.8629 ± 0.0005 Å
• c: 9.6221 ± 0.0004 Å
• α: 90°
• β: 102.775 ± 0.002°
• γ: 90°
• Cell volume: 1383.59 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0615
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1966
• Weighted residual factors for all reflections included in the refinement: 0.2084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes