Information card for entry 7207610

Structure parameters

• Common name: nevirapine-rac-tartaric acid 1:1 co-crystal
• Chemical name: 11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3,2-b:2',3'-e]diazepin-6-one rac-2,3-dihydroxybutanedioic acid 1:1 co-crystal
• Formula: C19 H20 N4 O7
• Calculated formula: C19 H20 N4 O7
• SMILES: C1(=O)Nc2c(N(c3c1cccn3)C1CC1)nccc2C.C(=O)([C@H]([C@@H](C(=O)O)O)O)O.C1(=O)Nc2c(N(c3c1cccn3)C1CC1)nccc2C.C(=O)([C@@H]([C@H](C(=O)O)O)O)O
• Title of publication: Co-crystals of the antiretroviral nevirapine: crystal structures, thermal analysis and dissolution behaviour
• Authors of publication: Caira, Mino R.; Bourne, Susan A.; Samsodien, Halima; Engel, Emile; Liebenberg, Wilna; Stieger, Nicole; Aucamp, Marique
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 2541
• a: 9.877 ± 0.002 Å
• b: 19.286 ± 0.004 Å
• c: 9.6971 ± 0.0019 Å
• α: 90°
• β: 90.66 ± 0.03°
• γ: 90°
• Cell volume: 1847.1 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• 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
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No