Information card for entry 2209516

Structure parameters

• Chemical name: 3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-aminium chloride
• Formula: C10 H25 Cl N4
• Calculated formula: C10 H25 Cl N4
• SMILES: [Cl-].[NH3+]CCCN1CCN(CC1)CCCN
• Title of publication: 3-[4-(3-Aminopropyl)piperazin-1-yl]propan-1-aminium chloride
• Authors of publication: Vaqueiro, Paz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2632 - o2633
• a: 10.9035 ± 0.0009 Å
• b: 15.9679 ± 0.0013 Å
• c: 7.875 ± 0.0006 Å
• α: 90°
• β: 96.693 ± 0.004°
• γ: 90°
• Cell volume: 1361.74 ± 0.19 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0659
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for all reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.0331
• Weighted residual factors for all reflections included in the refinement: 0.0331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes