Information card for entry 2101001

Structure parameters

• Formula: C21 H15 N3 O2
• Calculated formula: C21 H15 N3 O2
• SMILES: n1c(n(c(=O)c2ccccc12)c1ccccc1)CC(=O)c1ccncc1
• Title of publication: Structural and molecular modeling studies of quinazolinone anticonvulsants
• Authors of publication: Duke, N. E. C.; Codding, P. W.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 4
• Pages of publication: 719 - 726
• a: 12.1646 ± 0.0005 Å
• b: 5.5988 ± 0.0002 Å
• c: 12.389 ± 0.002 Å
• α: 90°
• β: 90.47 ± 0.01°
• γ: 90°
• Cell volume: 843.75 ± 0.14 ų
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No