Information card for entry 8100675

Structure parameters

• Formula: C14 H18 Cl N O2
• Calculated formula: C14 H18 Cl N O2
• SMILES: Cl[C@H]1C(N(C(=O)C)c2c([C@@H]1O)cc(cc2)C)(C)C.Cl[C@@H]1C(N(C(=O)C)c2c([C@H]1O)cc(cc2)C)(C)C
• Title of publication: Crystal structure of 1-acetyl-3-chloro-2,2,6-trimethyl-1,2,3,4- tetrahydroquinolin-4-ol, C~14~H~18~ClNO~2~
• Authors of publication: Williamson, N. M.; Ward, A. D.; Tiekink, E. R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 3
• Pages of publication: 347 - 348
• a: 5.984 ± 0.001 Å
• b: 14.435 ± 0.003 Å
• c: 15.514 ± 0.002 Å
• α: 90°
• β: 95.28 ± 0.02°
• γ: 90°
• Cell volume: 1334.4 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No