Information card for entry 4513069

Structure parameters

• Common name: Clotrimazole-2,5-Dihydroxybenzoic acid
• Chemical name: Clotrimazole-2,5-Dihydroxybenzoic acid
• Formula: C29 H23 Cl N2 O4
• Calculated formula: C29 H23 Cl N2 O4
• SMILES: Clc1c(cccc1)C(n1c[nH+]cc1)(c1ccccc1)c1ccccc1.[O-]C(=O)c1cc(O)ccc1O
• 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: 10.1762 ± 0.001 Å
• b: 10.6463 ± 0.0008 Å
• c: 13.0417 ± 0.0009 Å
• α: 108.469 ± 0.007°
• β: 102.963 ± 0.008°
• γ: 107.069 ± 0.008°
• Cell volume: 1200.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No