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Crystal structure of ethyl 5-acetyl-2-{[(di-methyl-amino)-methyl-idene]amino}-4-methyl-thio-phene-3-carboxyl-ate.

ABSTRACT: In the title thio-phene derivative, C13H18N2O3S, the dihedral angles between the thio-phene ring and the [(di-methyl-amino)-methyl-idene]amino side chain (r.m.s. deviation = 0.009?Å) and the -CO2 ester group are 3.01?(16) and 59.9?(3)°, respectively. In the crystal, inversion dimers linked by pairs of C-H?O hydrogen bonds generate R 2 (2)(16) loops. The dimers are linked by another weak C-H?O inter-action, forming chains along [001]. In addition, weak C-H?? inter-actions are observed, which link the chains into (001) layers.

SUBMITTER: Prasad NL 

PROVIDER: S-EPMC4647409 | biostudies-literature | 2015 Oct

REPOSITORIES: biostudies-literature

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Crystal structure of ethyl 5-acetyl-2-{[(di-methyl-amino)-methyl-idene]amino}-4-methyl-thio-phene-3-carboxyl-ate.

Prasad N L NL   Krishnamurthy M S MS   Nagarajaiah H H   Begum Noor Shahina NS  

Acta crystallographica. Section E, Crystallographic communications 20150917 Pt 10

In the title thio-phene derivative, C13H18N2O3S, the dihedral angles between the thio-phene ring and the [(di-methyl-amino)-methyl-idene]amino side chain (r.m.s. deviation = 0.009 Å) and the -CO2 ester group are 3.01 (16) and 59.9 (3)°, respectively. In the crystal, inversion dimers linked by pairs of C-H⋯O hydrogen bonds generate R 2 (2)(16) loops. The dimers are linked by another weak C-H⋯O inter-action, forming chains along [001]. In addition, weak C-H⋯π inter-actions are observed, which link  ...[more]

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