Information card for entry 7246587

Structure parameters

• Formula: C H4 N2 O2
• Calculated formula: C H4 N2 O2
• SMILES: O=C(NO)N
• Title of publication: Polymorph II of hydroxyurea 150 years after its first synthesis
• Authors of publication: Rai, Sunil K.; Tothadi, Srinu; Arhangelskis, Mihails; George, Christy P.; Gonnade, Rajesh G.; Nangia, Ashwini K.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 18
• Pages of publication: 2712 - 2716
• a: 9.197 ± 0.0004 Å
• b: 9.197 ± 0.0004 Å
• c: 14.6568 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1239.74 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.252
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No