Information card for entry 7207606

Structure parameters

• Common name: nevirapine-glutaric 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 pentanedioic acid 1:1 co-crystal
• Formula: C20 H22 N4 O5
• Calculated formula: C20 H22 N4 O5
• SMILES: C1(=O)Nc2c(N(c3c1cccn3)C1CC1)nccc2C.OC(=O)CCCC(=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: 7.363 ± 0.004 Å
• b: 12.292 ± 0.006 Å
• c: 12.305 ± 0.006 Å
• α: 118.571 ± 0.008°
• β: 90.144 ± 0.009°
• γ: 98.023 ± 0.008°
• Cell volume: 965.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No