Information card for entry 2223224

Structure parameters

• Chemical name: (<i>Z</i>)-2,2,2-Trichloro-<i>N</i>^2^-cyanoacetamidine
• Formula: C3 H2 Cl3 N3
• Calculated formula: C3 H2 Cl3 N3
• SMILES: ClC(Cl)(Cl)C(=N\C#N)\N
• Title of publication: (<i>Z</i>)-2,2,2-Trichloro-<i>N</i>^2^-cyanoacetamidine
• Authors of publication: Baker, A. Elizabeth; Boeré, René T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2134 - o2135
• a: 5.5388 ± 0.0004 Å
• b: 6.6127 ± 0.0004 Å
• c: 18.4727 ± 0.0012 Å
• α: 90°
• β: 95.122 ± 0.001°
• γ: 90°
• Cell volume: 673.89 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0203
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes