Information card for entry 7230901

Structure parameters

• Common name: Clozapine
• Formula: C19 H23 Cl N4 O
• Calculated formula: C19 H23 Cl N4 O
• Title of publication: The heterogeneous crystallization of a novel solvate of clozapine base in the presence of excipients
• Authors of publication: Verma, Vivek; Bannigan, Pauric; Lusi, Matteo; Crowley, Clare M.; Hudson, Sarah; Hodnett, Benjamin K.; Davern, Peter
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 31
• Pages of publication: 4370
• a: 20.0103 ± 0.0008 Å
• b: 10.5732 ± 0.0005 Å
• c: 17.375 ± 0.0008 Å
• α: 90°
• β: 96.172 ± 0.001°
• γ: 90°
• Cell volume: 3654.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1061
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No