Information card for entry 2234521

Structure parameters

• Chemical name: 7-Chloro-4-(piperazin-1-yl)quinoline
• Formula: C13 H14 Cl N3
• Calculated formula: C13 H14 Cl N3
• SMILES: Clc1ccc2c(N3CCNCC3)ccnc2c1
• Title of publication: 7-Chloro-4-(piperazin-1-yl)quinoline
• Authors of publication: Kulkarni, Amol A.; King, Christopher L.; Fortunak, Joseph M. D.; Butcher, Ray J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1497
• a: 7.0048 ± 0.0006 Å
• b: 7.8297 ± 0.0008 Å
• c: 21.4256 ± 0.0019 Å
• α: 91.371 ± 0.008°
• β: 91.292 ± 0.007°
• γ: 95.21 ± 0.008°
• Cell volume: 1169.55 ± 0.19 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.2183
• Weighted residual factors for all reflections included in the refinement: 0.2284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes