Information card for entry 2215971

Structure parameters

• Common name: (E)-N-(1-(3-oxo-3-phenylpropyl)imidazolidin-2-ylidene)nitramide
• Chemical name: (E)-3-(2-Nitriminoimidazolidin-1-yl)-1-phenylpropan-1-one
• Formula: C12 H14 N4 O3
• Calculated formula: C12 H14 N4 O3
• SMILES: O=C(c1ccccc1)CCN1CCNC/1=N\N(=O)=O
• Title of publication: (<i>E</i>)-3-(2-Nitriminoimidazolidin-1-yl)-1-phenylpropan-1-one
• Authors of publication: Yu, Haibo; Zhang, Bingnan; Fang, Jianxin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4242 - o4242
• a: 15.346 ± 0.004 Å
• b: 6.0908 ± 0.0015 Å
• c: 13.784 ± 0.003 Å
• α: 90°
• β: 102.098 ± 0.004°
• γ: 90°
• Cell volume: 1259.8 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.0857
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes