Information card for entry 7205754

Structure parameters

• Formula: C20 H24 N3 O2
• Calculated formula: C20 H24 N3 O2
• Title of publication: Crystal structures of mirtazapine molecular salts
• Authors of publication: Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 3232
• a: 10.631 ± 0.009 Å
• b: 9.315 ± 0.008 Å
• c: 18.052 ± 0.015 Å
• α: 90°
• β: 103.771 ± 0.013°
• γ: 90°
• Cell volume: 1736 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0921
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.2147
• Weighted residual factors for all reflections included in the refinement: 0.2418
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No