Information card for entry 2013681

Structure parameters

• Chemical name: 3-(2,4-Dichlorobenzoyl)-7-(N,N-dimethylamino)-1-phenylindolizine
• Formula: C23 H18 Cl2 N2 O
• Calculated formula: C23 H18 Cl2 N2 O
• SMILES: Clc1c(C(=O)c2n3ccc(N(C)C)cc3c(c2)c2ccccc2)ccc(Cl)c1
• Title of publication: 3-(4-Chlorobenzoyl)-7-(<i>N</i>,<i>N</i>-dimethylamino)-1-phenylindolizine and 3-(2,4-dichlorobenzoyl)-7-(<i>N</i>,<i>N</i>-dimethylamino)-1-phenylindolizine
• Authors of publication: Hema, R.; Parthasarathi, V.; Sarkunam, K.; Nallu, M.; Linden, Anthony
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o703 - o705
• a: 9.5888 ± 0.0002 Å
• b: 19.0878 ± 0.0004 Å
• c: 10.6508 ± 0.0002 Å
• α: 90°
• β: 90.758 ± 0.0013°
• γ: 90°
• Cell volume: 1949.24 ± 0.07 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 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
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes