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rac-6-Hy-droxy-4-(4-nitro-phen-yl)-5-(2-thienyl-carbon-yl)-6-(trifluoro-meth-yl)-3,4,5,6-tetra-hydro-pyrimidin-2(1H)-one monohydrate.

Zhang JL, Wang HS, Niu YJ, Zhu FX - Acta Crystallogr Sect E Struct Rep Online (2010)

Bottom Line: The dihydro-pyrimidine rings adopt a half-chair conformation.The mol-ecular conformation of one of the mol-ecules is stabilized by two intra-molecular O-H⋯O hydrogen bonds, generating an S(6) ring.The crystal structure is stabilized by inter-molecular O-H⋯O and N-H⋯O hydrogen bonds.

View Article: PubMed Central - HTML - PubMed

Affiliation: College of Chemistry and Chemical Engineering, Xuchang University, Xuchang, Henan Province, 461000, People's Republic of China.

ABSTRACT
The title compound, C(16)H(12)F(3)N(3)O(5)S·H(2)O, was prepared by reaction of 4-nitro-benzaldehyde, 4,4,4-trifluoro-1-(thio-phen-2-yl)butane-1,3-dione and urea. The asymmetric unit contains two independent mol-ecules, with essentially identical geom-etries and conformations. The dihydro-pyrimidine rings adopt a half-chair conformation. The dihedral angles between the benzene ring and the thio-phene ring are 54.82 (8) and 58.72 (8)° in the two mol-ecules. The mol-ecular conformation of one of the mol-ecules is stabilized by two intra-molecular O-H⋯O hydrogen bonds, generating an S(6) ring. The crystal structure is stabilized by inter-molecular O-H⋯O and N-H⋯O hydrogen bonds.

No MeSH data available.


The packing diagram of the title compound. Intermolecular hydrogen bonds are shown as dashed line.
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Fap2: The packing diagram of the title compound. Intermolecular hydrogen bonds are shown as dashed line.


rac-6-Hy-droxy-4-(4-nitro-phen-yl)-5-(2-thienyl-carbon-yl)-6-(trifluoro-meth-yl)-3,4,5,6-tetra-hydro-pyrimidin-2(1H)-one monohydrate.

Zhang JL, Wang HS, Niu YJ, Zhu FX - Acta Crystallogr Sect E Struct Rep Online (2010)

The packing diagram of the title compound. Intermolecular hydrogen bonds are shown as dashed line.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3009071&req=5

Fap2: The packing diagram of the title compound. Intermolecular hydrogen bonds are shown as dashed line.
Bottom Line: The dihydro-pyrimidine rings adopt a half-chair conformation.The mol-ecular conformation of one of the mol-ecules is stabilized by two intra-molecular O-H⋯O hydrogen bonds, generating an S(6) ring.The crystal structure is stabilized by inter-molecular O-H⋯O and N-H⋯O hydrogen bonds.

View Article: PubMed Central - HTML - PubMed

Affiliation: College of Chemistry and Chemical Engineering, Xuchang University, Xuchang, Henan Province, 461000, People's Republic of China.

ABSTRACT
The title compound, C(16)H(12)F(3)N(3)O(5)S·H(2)O, was prepared by reaction of 4-nitro-benzaldehyde, 4,4,4-trifluoro-1-(thio-phen-2-yl)butane-1,3-dione and urea. The asymmetric unit contains two independent mol-ecules, with essentially identical geom-etries and conformations. The dihydro-pyrimidine rings adopt a half-chair conformation. The dihedral angles between the benzene ring and the thio-phene ring are 54.82 (8) and 58.72 (8)° in the two mol-ecules. The mol-ecular conformation of one of the mol-ecules is stabilized by two intra-molecular O-H⋯O hydrogen bonds, generating an S(6) ring. The crystal structure is stabilized by inter-molecular O-H⋯O and N-H⋯O hydrogen bonds.

No MeSH data available.