Abstract
In the title thiourea derivative, C14H20N4S, the non-ring non-H atoms are approximately planar, with an r.m.s. deviation of 0.0720 Å. The pyridine ring is twisted out of this plane and makes a dihedral angle of 16.85 (13)° with it. The mean plane passing through the cyclohexyl ring is almost normal to the central plane [dihedral angle = 69.23 (8)°]. An intramolecular N—H⋯N(imine) hydrogen bond occurs. Centrosymmetric dimers are formed in the crystal structure via pairs of N—H⋯S hydrogen bonds, and these are connected into a supramolecular chain along the a axis via C—H⋯π(pyridyl) interactions.
Highlights
In the title thiourea derivative, C14H20N4S, the non-ring non-H atoms are approximately planar, with an r.m.s. deviation of
The mean plane passing through the cyclohexyl ring is almost normal to the central plane [dihedral angle = 69.23 (8) ]
Centrosymmetric dimers are formed in the crystal structure via pairs of N—
Summary
H atoms treated by a mixture of independent and constrained refinement max = 0.22 e Å3. R factor = 0.053; wR factor = 0.151; data-to-parameter ratio = 18.2. Cg1 is the centroid of the pyridyl ring. In the title thiourea derivative, C14H20N4S, the non-ring non-H atoms are approximately planar, with an r.m.s. deviation of. The pyridine ring is twisted out of this plane and makes a dihedral angle of 16.85 (13) with it. The mean plane passing through the cyclohexyl ring is almost normal to the central plane [dihedral angle = 69.23 (8) ]. Centrosymmetric dimers are formed in the crystal structure via pairs of N—. H S hydrogen bonds, and these are connected into a supramolecular chain along the a axis via C—H (pyridyl) interactions. Data collection: CrysAlis PRO (Agilent Technologies, 2010); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997) and DIAMOND (Brandenburg, 2006); software used to prepare material for publication: publCIF (Westrip, 2010)
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