Information card for entry 2000415

Structure parameters

• Chemical name: 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine hydrochloride
• Formula: C12 H17 Cl N2 O2
• Calculated formula: C12 H17 Cl N2 O2
• Title of publication: Structure of eltoprazine
• Authors of publication: Verdonk, M. L.; Kanters, J. A.; Kroon, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 2271 - 2273
• a: 7.315 ± 0.001 Å
• b: 7.941 ± 0.002 Å
• c: 21.393 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1242.7 ± 0.4 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.063
• Goodness-of-fit parameter for significantly intense reflections: 1.41
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No