Information card for entry 4503247

Structure parameters

• Formula: C9 H19 N O6
• Calculated formula: C10 H18 N O4
• Title of publication: An Alternate Crystal Form of Gabapentin: A Cocrystal with Oxalic Acid
• Authors of publication: Wenger, Mazal; Bernstein, Joel
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 1595
• a: 6.15 ± 0.003 Å
• b: 8.276 ± 0.004 Å
• c: 21.434 ± 0.01 Å
• α: 90°
• β: 94.388 ± 0.009°
• γ: 90°
• Cell volume: 1087.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No