Information card for entry 1544399

Structure parameters

• Chemical name: 2,5-Bis[(dimethylamino)methyl]-1<i>H</i>-pyrrole
• Formula: C10 H19 N3
• Calculated formula: C10 H19 N3
• SMILES: [nH]1c(ccc1CN(C)C)CN(C)C
• Title of publication: 2,5-Bis[(dimethylamino)methyl]-1<i>H</i>-pyrrole
• Authors of publication: Guo, Zhiqiang; Li, Pengxiang; Feng, Pengcheng; Liu, Kai; Wei, Xuehong
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 10
• Pages of publication: x161617
• a: 9.8203 ± 0.0004 Å
• b: 10.6193 ± 0.0004 Å
• c: 22.5202 ± 0.0009 Å
• α: 90°
• β: 98.098 ± 0.001°
• γ: 90°
• Cell volume: 2325.09 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes