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

M S Krishnamurthy,Noor Shahina Begum

doi:10.1107/s2056989015018873

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-fluorobenzene 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 molecules into supramolecular chains along the b axis. These chains are linked into a layer parallel to (10-1) by C—H⋯π interactions; layers stack with no specific interactions between them.

Highlights

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 crystal structure features N—H O, N—H S and C—H O hydrogen bonds that link molecules into supramolecular chains along the b axis. These chains are linked into a layer parallel to (101)
By C—H interactions; layers stack with no specific interactions between them

Summary

Introduction

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. Received 23 September 2015; accepted 7 October 2015 The 2-fluorobenzene 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 molecules into supramolecular chains along the b axis.

Results

Conclusion