Information card for entry 7230900

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: 20.275 ± 0.002 Å
• b: 10.7573 ± 0.0011 Å
• c: 17.3839 ± 0.0017 Å
• α: 90°
• β: 95.541 ± 0.002°
• γ: 90°
• Cell volume: 3773.8 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1085
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.3693
• Weighted residual factors for all reflections included in the refinement: 0.3919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.842
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No