Information card for entry 4501917

Structure parameters

• Common name: Dbg-Hydantoin
• Formula: C11 H20 N2 O2
• Calculated formula: C11 H20 N2 O2
• SMILES: O=C1C(NC(=O)N1)(CCCC)CCCC
• Title of publication: Supramolecular Architectures in 5,5′-Substituted Hydantoins: Crystal Structures and Hirshfeld Surface Analyses
• Authors of publication: Chattopadhyay, Basab; Mukherjee, Alok K.; Narendra, N.; Hemantha, H. P.; Sureshbabu, Vommina V.; Helliwell, Madeliene; Mukherjee, Monika
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 4476
• a: 9.3072 ± 0.0012 Å
• b: 9.5775 ± 0.0012 Å
• c: 7.5116 ± 0.0009 Å
• α: 90°
• β: 113.735 ± 0.001°
• γ: 90°
• Cell volume: 612.95 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.6945 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No