Information card for entry 2220374

Structure parameters

• Chemical name: 2-[4-(4,5-Dihydro-1<i>H</i>-pyrrol-2-yl)-phenyl]-4,5-dihydro-1<i>H</i>-imidazole
• Formula: C12 H14 N4
• Calculated formula: C12 H14 N4
• SMILES: C1CN=C(N1)c1ccc(cc1)C1=NCCN1
• Title of publication: 2-[4-(4,5-Dihydro-1<i>H</i>-pyrrol-2-yl)phenyl]-4,5-dihydro-1<i>H</i>-imidazole
• Authors of publication: Kia, Reza; Fun, Hoong-Kun; Kargar, Hadi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2406
• a: 4.8863 ± 0.0002 Å
• b: 5.1472 ± 0.0002 Å
• c: 10.2295 ± 0.0004 Å
• α: 104.414 ± 0.002°
• β: 93.885 ± 0.002°
• γ: 94.207 ± 0.002°
• Cell volume: 247.522 ± 0.017 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes