Information card for entry 4501815

Structure parameters

• Formula: C19 H21 N3 O8 S2
• Calculated formula: C19 H21 N3 O8 S2
• SMILES: c12S(=O)(=O)N(C(=C(O)c1cccc2)C(=O)Nc1sc(C)cn1)C.O=C(O)CCCC(=O)O
• Title of publication: Supramolecular Architectures of Meloxicam Carboxylic Acid Cocrystals, a Crystal Engineering Case Study
• Authors of publication: Cheney, Miranda L.; Weyna, David R.; Shan, Ning; Hanna, Mazen; Wojtas, Lukasz; Zaworotko, Michael J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 4401
• a: 7.181 ± 0.002 Å
• b: 8.439 ± 0.003 Å
• c: 18.364 ± 0.006 Å
• α: 80.737 ± 0.004°
• β: 85.464 ± 0.004°
• γ: 70.865 ± 0.004°
• Cell volume: 1037.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0377
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No