Information card for entry 2240340

Structure parameters

• Chemical name: 1-(2,4-Dimethylphenyl)urea
• Formula: C9 H12 N2 O
• Calculated formula: C9 H12 N2 O
• SMILES: O=C(Nc1c(cc(cc1)C)C)N
• Title of publication: Crystal structure of 1-(2,4-dimethylphenyl)urea
• Authors of publication: Jayalakshmi, L.; Ramalingan, C.; Sridhar, B.; Selvanayagam, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• Pages of publication: o60 - o61
• a: 14.631 ± 0.004 Å
• b: 7.0633 ± 0.0019 Å
• c: 8.786 ± 0.002 Å
• α: 90°
• β: 93.53 ± 0.004°
• γ: 90°
• Cell volume: 906.3 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1095
• Residual factor for significantly intense reflections: 0.0995
• Weighted residual factors for significantly intense reflections: 0.3206
• Weighted residual factors for all reflections included in the refinement: 0.3486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.586
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes