Information card for entry 4513031

Structure parameters

• Formula: C4 H11 N2 O2
• Calculated formula: C4 H11 N2 O2
• Title of publication: Discovery of New Metastable Polymorphs in a Family of Urea Co-Crystals by Solid-State Mechanochemistry
• Authors of publication: Zhou, Yating; Guo, Fang; Hughes, Colan E.; Browne, Duncan L.; Peskett, Thomas R.; Harris, Kenneth D. M.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 2901
• a: 5.1601 ± 0.0005 Å
• b: 7.4276 ± 0.0005 Å
• c: 8.5686 ± 0.0007 Å
• α: 81.465 ± 0.004°
• β: 86.299 ± 0.006°
• γ: 78.209 ± 0.005°
• Cell volume: 317.72 ± 0.05 ų
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• RFsqd: 0.1278
• Goodness-of-fit parameter for all reflections: 1.44
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No