Information card for entry 2225379

Structure parameters

• Chemical name: Desipramine hydrochloride
• Formula: C18 H23 Cl N2
• Calculated formula: C18 H23 Cl N2
• SMILES: [Cl-].N1(c2ccccc2CCc2ccccc12)CCC[NH2+]C
• Title of publication: Desipramine hydrochloride: a non-merohedrally twinned structure
• Authors of publication: Jasinski, Jerry P.; Butcher, Ray J.; Hakim Al-Arique, Q. N. M.; Yathirajan, H. S.; Ramesha, A.R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o674 - o675
• a: 10.7258 ± 0.0003 Å
• b: 15.9997 ± 0.0006 Å
• c: 20.6088 ± 0.0008 Å
• α: 107.347 ± 0.003°
• β: 89.96 ± 0.002°
• γ: 99.414 ± 0.002°
• Cell volume: 3326 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.125
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.2654
• Weighted residual factors for all reflections included in the refinement: 0.2799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes