Information card for entry 7246588

Structure parameters

• Common name: Hydroxyurea
• 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: 8.3422 ± 0.001 Å
• b: 4.8944 ± 0.0006 Å
• c: 8.7962 ± 0.001 Å
• α: 90°
• β: 122.423 ± 0.003°
• γ: 90°
• Cell volume: 303.16 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1743
• Weighted residual factors for all reflections included in the refinement: 0.1745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No