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Crystal structure of ethyl 4-(2-chloro-phen-yl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzo-thia-zole-3-carboxyl-ate.

ABSTRACT: In the title compound, C20H17ClN2O2S, the dihedral angle between the planes of the benzo-thia-zole fused ring system (r.m.s. deviation = 0.024?Å) and the chloro-benzene ring is 89.62?(12)°. The ester C-O-C-C side chain has an anti orientation [torsion angle = -155.2?(3)°]. In the crystal, weak aromatic ?-? stacking inter-actions are observed between the phenyl and pyrimidine rings [centroid-centroid seperation = 3.666?(2)?Å].

SUBMITTER: Kumar B

PROVIDER: S-EPMC4555405 | biostudies-literature | 2015 Sep

REPOSITORIES: biostudies-literature

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Crystal structure of ethyl 4-(2-chloro-phen-yl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzo-thia-zole-3-carboxyl-ate.

Kumar Balbir B Kour Manmeet M Paul Satya S Kant Rajni R Gupta Vivek K VK

Acta crystallographica. Section E, Crystallographic communications 20150822 Pt 9

In the title compound, C20H17ClN2O2S, the dihedral angle between the planes of the benzo-thia-zole fused ring system (r.m.s. deviation = 0.024 Å) and the chloro-benzene ring is 89.62 (12)°. The ester C-O-C-C side chain has an anti orientation [torsion angle = -155.2 (3)°]. In the crystal, weak aromatic π-π stacking inter-actions are observed between the phenyl and pyrimidine rings [centroid-centroid seperation = 3.666 (2) Å]. ...[more]

PMID: 26396895

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