Information card for entry 2006175

Structure parameters

• Chemical name: N-acridinium-9-yl-N'-propylidenehydrazine thiocyanate
• Formula: C17 H16 N4 S
• Calculated formula: C17 H16 N4 S
• SMILES: [S-]C#N.N(N=CCC)c1c2c([nH+]c3ccccc13)cccc2
• Title of publication: 9-Propylidenehydrazino-10-acridinium Thiocyanate at 173K
• Authors of publication: Linden, Anthony; Guspanová, Jana; Bernát, Juraj; Kristian, Pavol
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 732 - 734
• a: 9.054 ± 0.005 Å
• b: 11.467 ± 0.004 Å
• c: 8.512 ± 0.003 Å
• α: 110.66 ± 0.03°
• β: 109.01 ± 0.04°
• γ: 76.51 ± 0.04°
• Cell volume: 774.8 ± 0.6 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0923
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.0526
• Goodness-of-fit parameter for significantly intense reflections: 2.145
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No