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Crystal structure of ethyl 5-[3-(di-methyl-amino)-acrylo-yl]-2-{[(di-methyl-amino)-methyl-idene]-amino}-4-methylthio-phene-3-carb-oxy-late.

ABSTRACT: In the title compound, C16H23N3O3S, the dihedral angles between the thio-phene ring and the almost planar di-methyl-amino-methyl-ene-amino (r.m.s. deviation = 0.005?Å) and di-methyl-amino-acryloyl (r.m.s. deviation = 0.033?Å) substituents are 6.99?(8) and 6.69?(7)°, respectively. The ester CO2 group subtends a dihedral angle of 44.92?(18)° with the thio-phene ring. An intra-molecular C-H?O hydrogen bond generates an S(6) ring. In the crystal, inversion dimers linked by pairs of C-H?O hydrogen bonds generate R (2) 2(14) loops. In addition, a weak C-H?? inter-action is observed.

SUBMITTER: Krishnamurthy MS

PROVIDER: S-EPMC4719874 | biostudies-other | 2015 Dec

REPOSITORIES: biostudies-other

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Crystal structure of ethyl 5-[3-(di-methyl-amino)-acrylo-yl]-2-{[(di-methyl-amino)-methyl-idene]-amino}-4-methylthio-phene-3-carb-oxy-late.

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

Acta crystallographica. Section E, Crystallographic communications 20151104 Pt 12

In the title compound, C16H23N3O3S, the dihedral angles between the thio-phene ring and the almost planar di-methyl-amino-methyl-ene-amino (r.m.s. deviation = 0.005 Å) and di-methyl-amino-acryloyl (r.m.s. deviation = 0.033 Å) substituents are 6.99 (8) and 6.69 (7)°, respectively. The ester CO2 group subtends a dihedral angle of 44.92 (18)° with the thio-phene ring. An intra-molecular C-H⋯O hydrogen bond generates an S(6) ring. In the crystal, inversion dimers linked by pairs of C-H⋯O hydrogen bo ...[more]

PMID: 26870521

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