Information card for entry 2237310

Structure parameters

• Chemical name: 2,2-Dimethyl-2,3-dihydro-1<i>H</i>-perimidine
• Formula: C13 H14 N2
• Calculated formula: C13 H14 N2
• SMILES: N1c2cccc3cccc(NC1(C)C)c23
• Title of publication: 2,2-Dimethyl-2,3-dihydro-1<i>H</i>-perimidine
• Authors of publication: Maloney, Sarah; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o246
• a: 16.261 ± 0.01 Å
• b: 7.71 ± 0.004 Å
• c: 17.483 ± 0.01 Å
• α: 90°
• β: 106.131 ± 0.012°
• γ: 90°
• Cell volume: 2106 ± 2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes