Abstract
The asymmetric unit of the title co-crystal, C12H14N4O2S·0.5C6H12N2, comprises the sulfonamide molecule and half a molecule of 1,4-diazabicyclo[2.2.2]octane (DABCO), the latter being disposed about a crystallographic twofold rotation axis. In the sulfonamide molecule, the aromatic rings are almost perpendicular to one another [dihedral angle = 75.01 (8)°]. In the crystal, molecules are connected into a three-molecule aggregate via amide–DABCO N—H⋯N hydrogen bonds, and these are connected into a three-dimensional architecture via amino–DABCO N—H⋯O and amino-pyrimidine N—H⋯N hydrogen bonds.
Highlights
The asymmetric unit of the title co-crystal, C12H14N4O2S0.5C6H12N2, comprises the sulfonamide molecule and half a molecule of 1,4-diazabicyclo[2.2.2]octane (DABCO), the latter being disposed about a crystallographic twofold rotation axis
The aromatic rings are almost perpendicular to one another [dihedral angle =
Molecules are connected into a three-molecule aggregate via amide–DABCO N—H N
Summary
Key indicators: single-crystal X-ray study; T = 98 K; mean (C–C) = 0.003 Å; R factor =. 0.044; wR factor = 0.115; data-to-parameter ratio = 16.5. The asymmetric unit of the title co-crystal, C12H14N4O2S0.5C6H12N2, comprises the sulfonamide molecule and half a molecule of 1,4-diazabicyclo[2.2.2]octane (DABCO), the latter being disposed about a crystallographic twofold rotation axis. Molecules are connected into a three-molecule aggregate via amide–DABCO N—H N hydrogen bonds, and these are connected into a threedimensional architecture via amino–DABCO N—H O and amino-pyrimidine N—H N hydrogen bonds. 2005); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97.
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