Information card for entry 7205757

Structure parameters

• Formula: C17 H20 N3 O0.5
• Calculated formula: C17 H19 N3 O0.529
• 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: 9.801 ± 0.003 Å
• b: 17.308 ± 0.005 Å
• c: 9.009 ± 0.002 Å
• α: 90°
• β: 106 ± 0.004°
• γ: 90°
• Cell volume: 1469 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0883
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No