Information card for entry 4508546

Structure parameters

• Formula: C15 H15.5 Cl0.5 N2 O2.5
• Calculated formula: C15 H15.5 Cl0.5 N2 O2.5
• Title of publication: Salt Forms of Amides: Protonation and Polymorphism of Carbamazepine and Cytenamide
• Authors of publication: Buist, Amanda R.; Kennedy, Alan R.; Shankland, Kenneth; Shankland, Norman; Spillman, Mark J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 5121
• a: 29.4803 ± 0.0017 Å
• b: 4.9462 ± 0.0002 Å
• c: 21.6558 ± 0.0013 Å
• α: 90°
• β: 119.462 ± 0.008°
• γ: 90°
• Cell volume: 2749.4 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No