Information card for entry 2223681

Structure parameters

• Chemical name: 1,3-Bis(hydroxymethyl)benzimidazolin-2-one
• Formula: C9 H10 N2 O3
• Calculated formula: C9 H10 N2 O3
• SMILES: OCN1C(=O)N(c2c1cccc2)CO
• Title of publication: 1,3-Bis(hydroxymethyl)benzimidazolin-2-one
• Authors of publication: Devarajegowda, H. C.; Madhura, V.; Palakshamurthy, B. S.; Jeyaseelan, S.; Kulkarni, Manohar V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2735
• a: 13.5515 ± 0.0014 Å
• b: 11.0848 ± 0.0012 Å
• c: 17.6253 ± 0.0019 Å
• α: 90°
• β: 94.216 ± 0.002°
• γ: 90°
• Cell volume: 2640.4 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0447
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes