Information card for entry 2001074

Structure parameters

• Formula: C13 H12 F3 N O2
• Calculated formula: C13 H12 F3 N O2
• SMILES: CCNc1cc2oc(=O)cc(c2cc1C)C(F)(F)F
• Title of publication: Structure of 7-ethylamino-6-methyl-4-trifluoromethylcoumarin
• Authors of publication: Chinnakali, K.; Sivakumar, K.; Natarajan, S.; Mathews, I. I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 2
• Pages of publication: 386 - 387
• a: 5.029 ± 0.002 Å
• b: 7.479 ± 0.002 Å
• c: 17.073 ± 0.005 Å
• α: 97.98 ± 0.02°
• β: 95.54 ± 0.03°
• γ: 103.62 ± 0.03°
• Cell volume: 612.4 ± 0.4 ų
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No