Information card for entry 2312150

Structure parameters

• Common name: Carbamazepine–nicotinamide (1/1)
• Chemical name: 2-Azatricyclo[9.4.0.0^3,8^]pentadeca-1(11),3,5,7,9,12,14-heptaene-2-carboxamide; pyridine-3-carboxamide
• Formula: C21 H18 N4 O2
• Calculated formula: C21 H18 N4 O2
• Title of publication: New cocrystals of heterocyclic drugs: structural, antileishmanial, larvicidal and urease inhibition studies.
• Authors of publication: Murtaza, Ghulam; Khan, Majid; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 6
• Pages of publication: 237 - 248
• a: 5.1236 ± 0.0001 Å
• b: 17.7396 ± 0.0005 Å
• c: 19.7236 ± 0.0006 Å
• α: 90°
• β: 91.09 ± 0.002°
• γ: 90°
• Cell volume: 1792.37 ± 0.08 ų
• Cell temperature: 285 ± 2 K
• Ambient diffraction temperature: 285 ± 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: 0.0575
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes