Information card for entry 2000635

Structure parameters

• Formula: C9 H9 Cl O2
• Calculated formula: C9 H9 Cl O2
• SMILES: ClCC(=O)c1ccc(cc1)OC
• Title of publication: 2-Chloro-2'-methoxyacetophenone and 2-chloro-4'-methoxyacetophenone
• Authors of publication: Evans, K. L.; Fronczek, F. R.; Gandour, R. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 9
• Pages of publication: 1701 - 1703
• a: 7.6079 ± 0.0007 Å
• b: 12.296 ± 0.002 Å
• c: 9.924 ± 0.0013 Å
• α: 90°
• β: 111.097 ± 0.009°
• γ: 90°
• Cell volume: 866.1 ± 0.2 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No