Information card for entry 7224409

Structure parameters

• Common name: Bis-glycine squarate
• Chemical name: Bis-glycine squarate
• Formula: C8 H12 N2 O8
• Calculated formula: C8 H12 N2 O8
• SMILES: C(N)C(=O)O.NCC(=O)O.OC1=C(O)C(=O)C1=O
• Title of publication: Growth, Crystal structure, Hirshfield surface, Dielectric and Mechanical properties of a new organic single crystal: Bis(glycine) squarate
• Authors of publication: Kumar, Binay; Tyagi, Nidhi; Sinha, Nidhi; Yadav, Harsh
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 16.805 ± 0.0016 Å
• b: 8.3008 ± 0.0008 Å
• c: 15.7976 ± 0.0013 Å
• α: 90°
• β: 100.259 ± 0.009°
• γ: 90°
• Cell volume: 2168.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0642
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1709
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No