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Crystal structure of ethyl 2-cyano-3-[(1-eth-oxy-ethyl-idene)amino]-5-(3-meth-oxy-phen-yl)-7-methyl-5H-1,3-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.

ABSTRACT: In the title compound, C22H24N4O4S, the central pyrimidine ring adopts a sofa conformation with the ring-junction N atom displaced by 0.2358 (6) Å from the mean plane of the remaining ring atoms. The 3-meth-oxy-phenyl ring, at the chiral C atom opposite the other N atom, is positioned axially and is inclined to the thia-zolo-pyrimidine ring with a dihedral angle of 83.88 (7)°. The thia-zole ring is essentially planar (r.m.s. deviation = 0.0034 Å). In the crystal, pairs of weak C-H⋯O hydrogen bonds link mol-ecules related by twofold rotation axes to form R 2 (2)(8) rings, which in turn are linked by weak C-H⋯N inter-actions, forming ribbons along [-110]. In addition, π-π stacking inter-actions [centroid-centroid distance = 3.5744 (15) Å] connect the ribbons, forming slabs lying parallel to (001).

SUBMITTER: Krishnamurthy MS

PROVIDER: S-EPMC4438835 | biostudies-literature | 2015 Apr

REPOSITORIES: biostudies-literature

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Crystal structure of ethyl 2-cyano-3-[(1-eth-oxy-ethyl-idene)amino]-5-(3-meth-oxy-phen-yl)-7-methyl-5H-1,3-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.

Krishnamurthy M S MS Begum Noor Shahina NS

Acta crystallographica. Section E, Crystallographic communications 20150325 Pt 4

In the title compound, C22H24N4O4S, the central pyrimidine ring adopts a sofa conformation with the ring-junction N atom displaced by 0.2358 (6) Å from the mean plane of the remaining ring atoms. The 3-meth-oxy-phenyl ring, at the chiral C atom opposite the other N atom, is positioned axially and is inclined to the thia-zolo-pyrimidine ring with a dihedral angle of 83.88 (7)°. The thia-zole ring is essentially planar (r.m.s. deviation = 0.0034 Å). In the crystal, pairs of weak C-H⋯O hydrogen bon ...[more]

PMID: 26029443

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