Information card for entry 2101003

Structure parameters

• Formula: C22 H17 N3 O2
• Calculated formula: C22 H17 N3 O2
• SMILES: n1c(n(c(=O)c2c1cccc2)c1ccccc1C)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: 5.618 ± 0.002 Å
• b: 30.329 ± 0.007 Å
• c: 10.456 ± 0.004 Å
• α: 90°
• β: 98.21 ± 0.02°
• γ: 90°
• Cell volume: 1763.3 ± 1 ų
• 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
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No