Information card for entry 4512903

Structure parameters

• Common name: Clotrimazole-p-Coumaric acid
• Chemical name: Clotrimazole-p-Coumaric acid
• Formula: C31 H25 Cl N2 O3
• Calculated formula: C31 H25 Cl N2 O3
• SMILES: Clc1c(cccc1)C([n+]1c[nH]cc1)(c1ccccc1)c1ccccc1.C(=C\C(=O)[O-])/c1ccc(O)cc1
• Title of publication: Soluble Salts and Cocrystals of Clotrimazole
• Authors of publication: Mittapalli, Sudhir; Mannava, M. K. Chaitanya; Khandavilli, U. B. Rao; Allu, Suryanarayana; Nangia, Ashwini
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 2493
• a: 10.3536 ± 0.0013 Å
• b: 14.9452 ± 0.0014 Å
• c: 16.4976 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2552.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1953
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No