Information card for entry 2215425

Structure parameters

• Common name: 6-[(4-Bromophenylimino)methyl]-1,3-dimethyl-7-(2-methylpropenyl)-1,7- dihydro-pyrrolo[2,3-d]pyrimidine-2,4-dione
• Chemical name: 6-[(4-Bromophenyl)iminomethyl]-1,3-dimethyl-7-(2-methylpropenyl)-1,2,3,4- tetrahydro-7H-pyrrolo[2,3-<i>d</i>]pyrimidine-2,4-dione
• Formula: C20 H21 Br N4 O2
• Calculated formula: C20 H21 Br N4 O2
• SMILES: Brc1ccc(/N=C/c2n(c3N(C(=O)N(C(=O)c3c2)C)C)CC=C(C)C)cc1
• Title of publication: 6-[(4-Bromophenyl)iminomethyl]-1,3-dimethyl-7-(2-methylpropenyl)-1,2,3,4-tetrahydro-7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidine-2,4-dione
• Authors of publication: S. Murugavel; P. Ramesh; A. SubbiahPandi; E. Ramesh; R. Raghunathan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4108 - o4108
• a: 9.202 ± 0.003 Å
• b: 9.989 ± 0.003 Å
• c: 10.454 ± 0.004 Å
• α: 87.363 ± 0.019°
• β: 80.67 ± 0.02°
• γ: 84.187 ± 0.019°
• Cell volume: 942.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.09
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes