Information card for entry 4509212

Structure parameters

• Common name: carbamazepine:acidpic acid cocrystal (2:1)
• Chemical name: 5H-Dibenz(b,f)azepine-5-carboxamide adipic acid'
• Formula: C18 H17 N2 O3
• Calculated formula: C18 H17 N2 O3
• Title of publication: Analysis of 50 Crystal Structures Containing Carbamazepine Using theMaterialsModule ofMercury CSD
• Authors of publication: Childs, Scott L.; Wood, Peter A.; Rodríguez-Hornedo, Naír; Reddy, L. Sreenivas; Hardcastle, Kenneth I.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 1869
• a: 7.3375 ± 0.0008 Å
• b: 14.7716 ± 0.0017 Å
• c: 15.8886 ± 0.0018 Å
• α: 69.376 ± 0.008°
• β: 84.178 ± 0.009°
• γ: 88.266 ± 0.009°
• Cell volume: 1603.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1665
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No