Information card for entry 7205104

Structure parameters

• Formula: C14 H15 Br N2 O3
• Calculated formula: C14 H15 Br N2 O3
• Title of publication: Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates
• Authors of publication: Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 2
• Pages of publication: 591
• a: 7.5081 ± 0.0006 Å
• b: 8.6307 ± 0.0008 Å
• c: 12.7259 ± 0.0011 Å
• α: 105.102 ± 0.008°
• β: 104.686 ± 0.007°
• γ: 100.544 ± 0.007°
• Cell volume: 742.26 ± 0.12 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1296
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No