Information card for entry 2238741

Structure parameters

• Chemical name: <i>N</i>-(1<i>H</i>-Indol-3-ylmethylidene)-4-methylpiperazin-1-amine
• Formula: C14 H18 N4
• Calculated formula: C14 H18 N4
• SMILES: N1(CCN(/N=C/c2c[nH]c3ccccc23)CC1)C
• Title of publication: <i>N</i>-(1<i>H</i>-Indol-3-ylmethylidene)-4-methylpiperazin-1-amine
• Authors of publication: Kavitha, Channappa N.; Jasinski, Jerry P.; Anderson, Brian J.; Yathirajan, H. S.; Kaur, Manpreet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1706
• a: 7.563 ± 0.0005 Å
• b: 6.5593 ± 0.0004 Å
• c: 13.2319 ± 0.0009 Å
• α: 90°
• β: 100.072 ± 0.006°
• γ: 90°
• Cell volume: 646.29 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No