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The crystal structure of 6-(4-chloro-phen-yl)-2-(4-methyl-benz-yl)imidazo[2,1-b][1,3,4]thia-diazole-5-carbaldehyde.

ABSTRACT: In the title imidazo[2,1-b][1,3,4]thia-diazole derivative, C19H14ClN3OS, the 4-methyl-benzyl and chloro-phenyl rings are inclined to the planar imidazo[2,1-b][1,3,4]thia-diazole moiety (r.m.s. deviation = 0.012?Å) by 64.5?(1) and 3.7?(1)°, respectively. The mol-ecular structure is primarily stabilized by a strong intra-molecular C-H?O hydrogen bond, leading to the formation of a pseudo-seven-membered S(7) ring motif, and a short intra-molecular C-H?N contact forming an S(5) ring motif. In the crystal, mol-ecules are linked by pairs of C-H?S hydrogen bonds, forming inversion dimers. The dimers are linked by C-H?O and C-H?? inter-actions, forming chains propagating along [110].

SUBMITTER: Sowmya A 

PROVIDER: S-EPMC5050776 | biostudies-other | 2016 Oct

REPOSITORIES: biostudies-other

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The crystal structure of 6-(4-chloro-phen-yl)-2-(4-methyl-benz-yl)imidazo[2,1-<i>b</i>][1,3,4]thia-diazole-5-carbaldehyde.

Sowmya A A   Anil Kumar G N GN   Kumar Sujeet S   Karki Subhas S SS  

Acta crystallographica. Section E, Crystallographic communications 20160923 Pt 10

In the title imidazo[2,1-<i>b</i>][1,3,4]thia-diazole derivative, C<sub>19</sub>H<sub>14</sub>ClN<sub>3</sub>OS, the 4-methyl-benzyl and chloro-phenyl rings are inclined to the planar imidazo[2,1-<i>b</i>][1,3,4]thia-diazole moiety (r.m.s. deviation = 0.012 Å) by 64.5 (1) and 3.7 (1)°, respectively. The mol-ecular structure is primarily stabilized by a strong intra-molecular C-H⋯O hydrogen bond, leading to the formation of a pseudo-seven-membered <i>S</i>(7) ring motif, and a short intra-molecul  ...[more]