Information card for entry 2000314

Structure parameters

• Formula: C11 H13 N O S
• Calculated formula: C11 H13 N O S
• SMILES: S1c2c(NC1(C)CC(=O)C)cccc2
• Title of publication: Structure of 1-(2-methyl-2,3-dihydrobenzothiazol-2-yl)-2-propanone
• Authors of publication: Yeap, G.-Y.; Fun, H.-K.; Teo, S.-B.; Teoh, S.-G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 6
• Pages of publication: 1347 - 1348
• a: 8.433 ± 0.002 Å
• b: 12.932 ± 0.001 Å
• c: 10.503 ± 0.003 Å
• α: 90°
• β: 111.77 ± 0.01°
• γ: 90°
• Cell volume: 1063.7 ± 0.4 ų
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No