Information card for entry 2000255

Structure parameters

• Formula: C12 H13 N3 O
• Calculated formula: C12 H13 N3 O
• SMILES: O=C1CC(C)(C)Nc2n1c1ccccc1n2
• Title of publication: 2,2-Dimethyl-1,2,3,4-tetrahydrobenzimidazo[3,2-<i>a</i>]pyrimid-4-one
• Authors of publication: Bird, C. W.; Nyburg, S. C.; Parkins, A. W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 9
• Pages of publication: 1943 - 1945
• a: 6.678 ± 0.003 Å
• b: 9.635 ± 0.003 Å
• c: 9.947 ± 0.005 Å
• α: 114.79 ± 0.03°
• β: 106.01 ± 0.04°
• γ: 90.39 ± 0.04°
• Cell volume: 553 ± 0.5 ų
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No