Information card for entry 2018976

Structure parameters

• Common name: 4-Chloro-N-[1-(1H-pyrrol-2-yl)ethylidene]aniline
• Chemical name: 4-Chloro-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline
• Formula: C12 H11 Cl N2
• Calculated formula: C12 H11 Cl N2
• Title of publication: Isomeric 3- and 4-chloro-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline
• Authors of publication: Su, Bi-Yun; Wang, Jia-Xiang; Liu, Xiang; Li, Qian-Ding
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: 522 - 525
• a: 13.323 ± 0.003 Å
• b: 9.802 ± 0.002 Å
• c: 9.107 ± 0.002 Å
• α: 90°
• β: 109.212 ± 0.004°
• γ: 90°
• Cell volume: 1123.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• 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
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes