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Ethyl 4-(4-cyano-phen-yl)-6-methyl-2-thioxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.

Wu DH, Zhang YH, Li ZF - Acta Crystallogr Sect E Struct Rep Online (2009)

Bottom Line: One of the ethyl groups is disordered over two orientations with occupancy factors of 0.700 (7) and 0.300 (7).In the crystal structure, mol-ecules are linked by inter-molecular N-H⋯O hydrogen-bonding inter-actions into one-dimensional chains along the c-axis direction.The chains are further connected by N-H⋯S hydrogen bonds, forming a three-dimensional network.

View Article: PubMed Central - HTML - PubMed

Affiliation: Ordered Matter Science Research Center, College of Chemistry and Chemical Engineering, School of Materials Science and Engineering, Southeast University, Nanjing 210096, People's Republic of China.

ABSTRACT
The asymmetric unit of the title compound, C(15)H(15)N(3)O(2)S, contains two independent mol-ecules corresponding to the R and S enanti-omers. The dihydro-pyrimidinone rings adopt a flattened boat conformation. One of the ethyl groups is disordered over two orientations with occupancy factors of 0.700 (7) and 0.300 (7). In the crystal structure, mol-ecules are linked by inter-molecular N-H⋯O hydrogen-bonding inter-actions into one-dimensional chains along the c-axis direction. The chains are further connected by N-H⋯S hydrogen bonds, forming a three-dimensional network.

No MeSH data available.


Related in: MedlinePlus

The crystal packing of the title compound, showing the chains along [001] formed by N—H···O hydrogen bonds (dashed lines). The minor component of disorder and H atoms not involved in hydrogen bonds are omitted for clarity.
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Fap2: The crystal packing of the title compound, showing the chains along [001] formed by N—H···O hydrogen bonds (dashed lines). The minor component of disorder and H atoms not involved in hydrogen bonds are omitted for clarity.


Ethyl 4-(4-cyano-phen-yl)-6-methyl-2-thioxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.

Wu DH, Zhang YH, Li ZF - Acta Crystallogr Sect E Struct Rep Online (2009)

The crystal packing of the title compound, showing the chains along [001] formed by N—H···O hydrogen bonds (dashed lines). The minor component of disorder and H atoms not involved in hydrogen bonds are omitted for clarity.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2977496&req=5

Fap2: The crystal packing of the title compound, showing the chains along [001] formed by N—H···O hydrogen bonds (dashed lines). The minor component of disorder and H atoms not involved in hydrogen bonds are omitted for clarity.
Bottom Line: One of the ethyl groups is disordered over two orientations with occupancy factors of 0.700 (7) and 0.300 (7).In the crystal structure, mol-ecules are linked by inter-molecular N-H⋯O hydrogen-bonding inter-actions into one-dimensional chains along the c-axis direction.The chains are further connected by N-H⋯S hydrogen bonds, forming a three-dimensional network.

View Article: PubMed Central - HTML - PubMed

Affiliation: Ordered Matter Science Research Center, College of Chemistry and Chemical Engineering, School of Materials Science and Engineering, Southeast University, Nanjing 210096, People's Republic of China.

ABSTRACT
The asymmetric unit of the title compound, C(15)H(15)N(3)O(2)S, contains two independent mol-ecules corresponding to the R and S enanti-omers. The dihydro-pyrimidinone rings adopt a flattened boat conformation. One of the ethyl groups is disordered over two orientations with occupancy factors of 0.700 (7) and 0.300 (7). In the crystal structure, mol-ecules are linked by inter-molecular N-H⋯O hydrogen-bonding inter-actions into one-dimensional chains along the c-axis direction. The chains are further connected by N-H⋯S hydrogen bonds, forming a three-dimensional network.

No MeSH data available.


Related in: MedlinePlus