Information card for entry 2224720

Structure parameters

• Common name: Gabapentin-lactum‒chloranilic acid (1/1)
• Chemical name: 2-azaspiro[4.5]decan-3-one‒chloranilic acid (1/1)
• Formula: C15 H17 Cl2 N O5
• Calculated formula: C15 H17 Cl2 N O5
• SMILES: ClC1=C(O)C(=O)C(=C(O)C1=O)Cl.O=C1NCC2(CCCCC2)C1
• Title of publication: Gabapentin-lactum‒chloranilic acid (1/1)
• Authors of publication: Jasinski, Jerry P.; Butcher, Ray J.; Hakim Al-arique, Q. N. M.; Yathirajan, H. S.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o163 - o164
• a: 6.6127 ± 0.0009 Å
• b: 9.58 ± 0.0011 Å
• c: 13.0724 ± 0.0013 Å
• α: 102.679 ± 0.009°
• β: 91.934 ± 0.009°
• γ: 98.481 ± 0.01°
• Cell volume: 797.23 ± 0.17 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0472
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes