Information card for entry 2004225

Structure parameters

• Formula: C17 H14 Cl N O2
• Calculated formula: C17 H14 Cl N O2
• SMILES: Clc1ccc(cc1)NCc1cc(=O)oc2c1cc(C)cc2
• Title of publication: 4-(4-Chloroanilinomethyl)-6-methylcoumarin
• Authors of publication: Kokila, M. K.; Jain, A.; Puttaraja; Kulkarni, M. V.; Shivaprakash, N. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2585 - 2586
• a: 14.04 ± 0.003 Å
• b: 5.804 ± 0.001 Å
• c: 17.728 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1444.6 ± 0.4 ų
• Cell temperature: 300 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.033
• Goodness-of-fit parameter for significantly intense reflections: 4.41
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No