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Crystal structure of ethyl 6-methyl-2-sulfanyl-idene-4-(thio-phen-2-yl)-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.

Suresh M, Padusha MS, Novina JJ, Vasuki G, Viswanathan V, Velmurugan D - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: In the title compound, C12H14N2O2S2, the di-hydro-pyrimidine ring adopts a sofa conformation, with the C atom bearing the thienyl ring lying above the plane of the five remaining approximately coplanar (r.m.s. deviation = 0.0405 Å) atoms of the ring.The dihedral angle between the five near coplanar atoms of the ring and the thienyl ring is 89.78 (11)°.The three-dimensional architecture also features meth-yl-thienyl C-H⋯π inter-actions.

View Article: PubMed Central - HTML - PubMed

Affiliation: PG & Research Department of Chemistry, Jamal Mohamed College (Autonomous), Tiruchirappalli-20, India.

ABSTRACT
In the title compound, C12H14N2O2S2, the di-hydro-pyrimidine ring adopts a sofa conformation, with the C atom bearing the thienyl ring lying above the plane of the five remaining approximately coplanar (r.m.s. deviation = 0.0405 Å) atoms of the ring. The dihedral angle between the five near coplanar atoms of the ring and the thienyl ring is 89.78 (11)°. In the crystal, mol-ecules are linked into a supra-molecular chain along [100] via N-H⋯O(carbon-yl) hydrogen bonds. Inversion-related chains are linked into double chains via N-H⋯S(thione) hydrogen bonds. The three-dimensional architecture also features meth-yl-thienyl C-H⋯π inter-actions.

No MeSH data available.


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Part of the crystal packing of the title compound, showing C—H···π interactions. Viewed along the a axis.
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Fap3: Part of the crystal packing of the title compound, showing C—H···π interactions. Viewed along the a axis.


Crystal structure of ethyl 6-methyl-2-sulfanyl-idene-4-(thio-phen-2-yl)-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.

Suresh M, Padusha MS, Novina JJ, Vasuki G, Viswanathan V, Velmurugan D - Acta Crystallogr E Crystallogr Commun (2015)

Part of the crystal packing of the title compound, showing C—H···π interactions. Viewed along the a axis.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4384618&req=5

Fap3: Part of the crystal packing of the title compound, showing C—H···π interactions. Viewed along the a axis.
Bottom Line: In the title compound, C12H14N2O2S2, the di-hydro-pyrimidine ring adopts a sofa conformation, with the C atom bearing the thienyl ring lying above the plane of the five remaining approximately coplanar (r.m.s. deviation = 0.0405 Å) atoms of the ring.The dihedral angle between the five near coplanar atoms of the ring and the thienyl ring is 89.78 (11)°.The three-dimensional architecture also features meth-yl-thienyl C-H⋯π inter-actions.

View Article: PubMed Central - HTML - PubMed

Affiliation: PG & Research Department of Chemistry, Jamal Mohamed College (Autonomous), Tiruchirappalli-20, India.

ABSTRACT
In the title compound, C12H14N2O2S2, the di-hydro-pyrimidine ring adopts a sofa conformation, with the C atom bearing the thienyl ring lying above the plane of the five remaining approximately coplanar (r.m.s. deviation = 0.0405 Å) atoms of the ring. The dihedral angle between the five near coplanar atoms of the ring and the thienyl ring is 89.78 (11)°. In the crystal, mol-ecules are linked into a supra-molecular chain along [100] via N-H⋯O(carbon-yl) hydrogen bonds. Inversion-related chains are linked into double chains via N-H⋯S(thione) hydrogen bonds. The three-dimensional architecture also features meth-yl-thienyl C-H⋯π inter-actions.

No MeSH data available.


Related in: MedlinePlus