Information card for entry 2200498

Structure parameters

• Chemical name: Piperazine dihydrochloride monohydrate
• Formula: C4 H14 Cl2 N2 O
• Calculated formula: C4 H14 Cl2 N2 O
• SMILES: C1[NH2+]CC[NH2+]C1.O.[Cl-].[Cl-]
• Title of publication: Redetermination of piperazine dihydrochloride monohydrate
• Authors of publication: Dehghanpour, Saeed; Mahmoudkhani, Amir H.; Langer, Vratislav
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: o610 - o611
• a: 10.2233 ± 0.0003 Å
• b: 6.3323 ± 0.0003 Å
• c: 13.5389 ± 0.0006 Å
• α: 90°
• β: 107.587 ± 0.002°
• γ: 90°
• Cell volume: 835.5 ± 0.06 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.1489
• 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: No
• Has Fobs: No