Information card for entry 2312148

Structure parameters

• Common name: Carbamazepine–5-chlorosalicylic acid (1/1)
• Chemical name: 2-Azatricyclo[9.4.0.0^3,8^]pentadeca- 1(11),3,5,7,9,12,14-heptaene-2-carboxamide; 5-chloro-2-hydroxybenzoic acid
• Formula: C22 H17 Cl N2 O4
• Calculated formula: C22 H17 Cl N2 O4
• SMILES: Clc1ccc(O)c(C(=O)O)c1.O=C(N1c2ccccc2C=Cc2ccccc12)N
• 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: 5.1567 ± 0.0003 Å
• b: 21.1373 ± 0.001 Å
• c: 17.8054 ± 0.0009 Å
• α: 90°
• β: 92.826 ± 0.002°
• γ: 90°
• Cell volume: 1938.41 ± 0.18 ų
• Cell temperature: 285 ± 2 K
• Ambient diffraction temperature: 285 ± 2 K
• Number of distinct elements: 5
• 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: 0.0526
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes