Information card for entry 2224855

Structure parameters

• Common name: Chlorimipraminium picrate
• Chemical name: 3-Chloro-5-[3-(dimethylamino)propyl]-10,11-dihydro-5<i>H</i>-dibenz[<i>b</i>,<i>f</i>]azepinium picrate
• Formula: C25 H26 Cl N5 O7
• Calculated formula: C25 H26 Cl N5 O7
• SMILES: Clc1cc2N(c3c(CCc2cc1)cccc3)CCC[NH+](C)C.[O-]c1c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O
• Title of publication: Chlorimipraminium picrate
• Authors of publication: Jasinski, Jerry P.; Butcher, Ray J.; Hakim Al-Arique, Q. N. M.; Yathirajan, H. S.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o347 - o348
• a: 11.2252 ± 0.0003 Å
• b: 13.1514 ± 0.0003 Å
• c: 17.2787 ± 0.0004 Å
• α: 90.9414 ± 0.0019°
• β: 91.1253 ± 0.0019°
• γ: 100.445 ± 0.0019°
• Cell volume: 2507.54 ± 0.11 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes