Information card for entry 8102025

Structure parameters

• Chemical name: N-benzoyl-4,4-dimethyl-2-methylamino-2-thiazoline
• Formula: C13 H16 N2 O S
• Calculated formula: C13 H16 N2 O S
• SMILES: S1C(N(C(=O)c2ccccc2)C)=NC(C1)(C)C
• Title of publication: Crystal structure of N-benzoyl-4,4-dimethyl-2-methyl-amino-2-thiazoline, C~13~H~16~N~2~OS
• Authors of publication: Lee, Y. B.; Kim, T. H.; Hwang, I.-C.; Ha, K.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 3
• Pages of publication: 367 - 368
• a: 21.908 ± 0.002 Å
• b: 13.9319 ± 0.0015 Å
• c: 8.7971 ± 0.0009 Å
• α: 90°
• β: 101.952 ± 0.002°
• γ: 90°
• Cell volume: 2626.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0603
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No