Information card for entry 4505663

Structure parameters

• Chemical name: 2(4-Chlorobenzamide) : Fumaric acid
• Formula: C18 H16 Cl2 N2 O6
• Calculated formula: C18 H16 Cl2 N2 O6
• Title of publication: Do Polymorphic Compounds Make Good Cocrystallizing Agents? A Structural Case Study that Demonstrates the Importance of Synthon Flexibility
• Authors of publication: Aakeröy, Christer B.; Beatty, Alicia M.; Helfrich, Brian A.; Nieuwenhuyzen, Mark
• Journal of publication: Crystal Growth & Design
• Year of publication: 2003
• Journal volume: 3
• Journal issue: 2
• Pages of publication: 159
• a: 9.2674 ± 0.0008 Å
• b: 10.1386 ± 0.0009 Å
• c: 10.4805 ± 0.001 Å
• α: 86.428 ± 0.006°
• β: 72.174 ± 0.006°
• γ: 89.506 ± 0.007°
• Cell volume: 935.58 ± 0.15 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0546
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No