Information card for entry 2238330

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>-Diethyl-4-[(<i>E</i>)-(pyridin-3-yl)diazenyl]aniline
• Formula: C15 H18 N4
• Calculated formula: C15 H18 N4
• SMILES: CCN(c1ccc(cc1)/N=N/c1cccnc1)CC
• Title of publication: <i>N</i>,<i>N</i>-Diethyl-4-[(<i>E</i>)-(pyridin-3-yl)diazenyl]aniline
• Authors of publication: Draguta, Sergiu; Leonova, Evgeniya; Fokina, Maria; Denisyuk, Igor; Timofeeva, Tatiana V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1280
• a: 7.4332 ± 0.0007 Å
• b: 9.1093 ± 0.0008 Å
• c: 20.1946 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1367.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1129
• 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