Information card for entry 2008368

Structure parameters

• Chemical name: 1-(2-aminoethyl)-2,3-diphenylpiperazine hydrochloride
• Formula: C18 H24 Cl N3
• Calculated formula: C18 H24 Cl N3
• SMILES: [Cl-].N1[C@H](c2ccccc2)[C@H](N(CC1)CC[NH3+])c1ccccc1.[Cl-].N1[C@@H](c2ccccc2)[C@@H](N(CC1)CC[NH3+])c1ccccc1
• Title of publication: 2-(2,3-Diphenylpiperazin-1-yl)ethylammonium chloride
• Authors of publication: Sarmistha Basu Majumder; Monika Mukherjee; Goutam Kumar Patra; Dipankar Datta; Madeleine Helliwell
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 668 - 670
• a: 13.585 ± 0.002 Å
• b: 35.391 ± 0.007 Å
• c: 7.067 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3397.7 ± 1.3 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.14
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections: 0.2646
• Weighted residual factors for significantly intense reflections: 0.1371
• Goodness-of-fit parameter for all reflections: 1.056
• Goodness-of-fit parameter for significantly intense reflections: 1.042
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No