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Crystal structure of methyl 4-(2-fluoro-phenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetra-hydro-pyrimidine-5-carb-oxy-late.

ABSTRACT: In the title compound, C13H13FN2O2S, the pyrimidine ring adopts a twist-boat conformation with the MeCN and methine-C atoms displaced by 0.0938?(6) and 0.2739?(3)?Å, respectively, from the mean plane through the other four atoms of the ring. The 2-fluoro-benzene ring is positioned axially and forms a dihedral angle of 89.13?(4)° with the mean plane through the pyrimidine ring. The crystal structure features N-H?O, N-H?S and C-H?O hydrogen bonds that link mol-ecules into supra-molecular chains along the b axis. These chains are linked into a layer parallel to (10-1) by C-H?? inter-actions; layers stack with no specific inter-actions between them.

SUBMITTER: Krishnamurthy MS 

PROVIDER: S-EPMC4645072 | biostudies-literature | 2015 Nov

REPOSITORIES: biostudies-literature

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Crystal structure of methyl 4-(2-fluoro-phenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetra-hydro-pyrimidine-5-carb-oxy-late.

Krishnamurthy M S MS   Begum Noor Shahina NS  

Acta crystallographica. Section E, Crystallographic communications 20151014 Pt 11

In the title compound, C13H13FN2O2S, the pyrimidine ring adopts a twist-boat conformation with the MeCN and methine-C atoms displaced by 0.0938 (6) and 0.2739 (3) Å, respectively, from the mean plane through the other four atoms of the ring. The 2-fluoro-benzene ring is positioned axially and forms a dihedral angle of 89.13 (4)° with the mean plane through the pyrimidine ring. The crystal structure features N-H⋯O, N-H⋯S and C-H⋯O hydrogen bonds that link mol-ecules into supra-molecular chains al  ...[more]

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