Information card for entry 2243806

Structure parameters

• Chemical name: 5-Cyclopropyl-<i>N</i>-(6-methoxybenzo[<i>d</i>]thiazol-2-yl)isoxazole-3-carboxamide
• Formula: C15 H13 N3 O3 S
• Calculated formula: C15 H13 N3 O3 S
• Title of publication: Different patterns of supramolecular aggregation in three amides containing <i>N</i>-(benzo[<i>d</i>]thiazolyl) substituents
• Authors of publication: Mahesha, Ninganayaka; Yathirajan, Hemmige S.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 5
• Pages of publication: 504 - 511
• a: 18.72 ± 0.001 Å
• b: 11.5255 ± 0.0008 Å
• c: 14.7905 ± 0.0009 Å
• α: 90°
• β: 115.52 ± 0.01°
• γ: 90°
• Cell volume: 2879.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1222
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes