Information card for entry 2235153

Structure parameters

• Chemical name: 1-[(6-Chloropyridin-3-yl)methyl]imidazolidin-2-one
• Formula: C9 H10 Cl N3 O
• Calculated formula: C9 H10 Cl N3 O
• SMILES: Clc1ncc(cc1)CN1CCNC1=O
• Title of publication: 1-[(6-Chloropyridin-3-yl)methyl]imidazolidin-2-one
• Authors of publication: Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Shripanavar, Chetan S.; Banerjee, Kaushik
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1939
• a: 5.9864 ± 0.0003 Å
• b: 7.4724 ± 0.0005 Å
• c: 11.0235 ± 0.0008 Å
• α: 83.103 ± 0.006°
• β: 80.04 ± 0.005°
• γ: 80.02 ± 0.005°
• Cell volume: 476.26 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1733
• Weighted residual factors for all reflections included in the refinement: 0.205
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes