Information card for entry 2017957

Structure parameters

• Chemical name: <i>N</i>'-Anilinopyrazine-2-carboximidamide
• Formula: C11 H11 N5
• Calculated formula: C11 H11 N5
• SMILES: C(=N\Nc1ccccc1)(c1cnccn1)\N
• Title of publication: Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. II. Crystal structures of 3-[amino(pyrazin-2-yl)methylidene]-2-methylcarbazic acid esters
• Authors of publication: Olczak, Andrzej; Szczesio, Małgorzata; Gołka, Jolanta; Orlewska, Czesława; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o37 - o42
• a: 20.7274 ± 0.0006 Å
• b: 5.7456 ± 0.0001 Å
• c: 9.1455 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1089.15 ± 0.05 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes