Information card for entry 2215453

Structure parameters

• Chemical name: 1,2-Di-2-pyridyl-1,2-bis(1,3,4-thiadiazol-2-ylamino)ethane
• Formula: C16 H12 N8 S2
• Calculated formula: C16 H12 N8 S2
• SMILES: c1ccc(nc1)C(=C(c1ccccn1)\Nc1nncs1)/Nc1nncs1
• Title of publication: 1,2-Di-2-pyridyl-1,2-bis(1,3,4-thiadiazol-2-ylamino)ethane
• Authors of publication: Zhang, Yu-Xia; Li, Yu-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4179 - o4179
• a: 5.472 ± 0.0011 Å
• b: 7.9623 ± 0.0016 Å
• c: 9.7363 ± 0.0019 Å
• α: 91.01 ± 0.03°
• β: 93.96 ± 0.03°
• γ: 105.57 ± 0.03°
• Cell volume: 407.38 ± 0.15 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.0594
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes