Information card for entry 2201621

Structure parameters

• Chemical name: 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazinium chloride
• Formula: C13 H19 Cl3 N2
• Calculated formula: C13 H19 Cl3 N2
• Title of publication: 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazinium chloride
• Authors of publication: Homrighausen, Craig L.; Krause Bauer, Jeanette A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: o1395 - o1396
• a: 10.856 ± 0.002 Å
• b: 9.815 ± 0.002 Å
• c: 14.052 ± 0.003 Å
• α: 90°
• β: 93.07 ± 0.03°
• γ: 90°
• Cell volume: 1495.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0719
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes