Information card for entry 7207607

Structure parameters

• Common name: nevirapine-maleic 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 (Z)-butenedioic acid 1:1 co-crystal
• Formula: C19 H18 N4 O5
• Calculated formula: C19 H18 N4 O5
• SMILES: C1(=O)Nc2c(N(c3c1cccn3)C1CC1)nccc2C.OC(=O)/C=C\C(=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: 7.4001 ± 0.0005 Å
• b: 10.4599 ± 0.0007 Å
• c: 23.2561 ± 0.0016 Å
• α: 90°
• β: 98.968 ± 0.001°
• γ: 90°
• Cell volume: 1778.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No