Information card for entry 7202168

Structure parameters

• Common name: dithiooxamide - 2,7-diazapyrene (1/1)
• Chemical name: dithiooxamide - 2,7-diazapyrene (1/1)
• Formula: C16 H12 N4 S2
• Calculated formula: C16 H12 N4 S2
• Title of publication: Strong N‒H⋯N hydrogen bonds and weak N‒H⋯S  C interactions in controlling the structure of the co-crystals of dithiooxamide with nitrogen heterocycles
• Authors of publication: Piotrkowska, Barbara; Wasilewska, Aleksandra; Gdaniec, Maria; Połoński, Tadeusz
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 1421
• a: 7.255 ± 0.0008 Å
• b: 8.7786 ± 0.0012 Å
• c: 11.8824 ± 0.0011 Å
• α: 85.341 ± 0.009°
• β: 79.117 ± 0.008°
• γ: 83.618 ± 0.01°
• Cell volume: 737.15 ± 0.15 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0547
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No