Information card for entry 4506812

Structure parameters

• Formula: C18 H18 N2 O5
• Calculated formula: C18 H18 N2 O5
• SMILES: OC(=O)c1c(=O)c2c(n(c1)CC)nc(cc2)C.Oc1cc(O)ccc1
• Title of publication: Polymorphs and Cocrystals of Nalidixic Acid
• Authors of publication: Gangavaram, Swarupa; Raghavender, S.; Sanphui, Palash; Pal, Sharmistha; Manjunatha, Sulur G.; Nambiar, Sudhir; Nangia, Ashwini
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 4963
• a: 7.9735 ± 0.0011 Å
• b: 8.0661 ± 0.0011 Å
• c: 25.497 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1639.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No