Information card for entry 7218288

Structure parameters

• Formula: C17 H24 N2 O
• Calculated formula: C17 H24 N2 O
• SMILES: O=C1NC(=NC1(C)CCCCCCC)c1ccccc1
• Title of publication: Efficient 4,5-dihydro-1H-imidazol-5-one formation from amidines and ketones under transition-metal free conditions
• Authors of publication: Xie, Yanjun; Cheng, Xiufang; Liu, Saiwen; Chen, Hui; Zhou, Wang; Yang, Luo; Deng, Guo-Jun
• Journal of publication: Green Chem.
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 1
• Pages of publication: 209
• a: 29.745 ± 0.011 Å
• b: 5.802 ± 0.002 Å
• c: 19.967 ± 0.008 Å
• α: 90°
• β: 112.103 ± 0.004°
• γ: 90°
• Cell volume: 3193 ± 2 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No