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Crystal structure of diethyl 2-amino-5-{4-[bis-(4-methyl-phen-yl)amino]-benzamido}-thio-phene-3,4-di-carboxyl-ate.

ABSTRACT: In the title compound, C31H31N3O5S, the regioselective substitution of the thio-phene is confirmed with the amine and the amide at the 2- and 5-positions, respectively. In the mol-ecule, the thio-phene ring is twisted by 12.82?(3)° with respect to the aromatic ring of the benzamido group. Intra-molecular N-H?O hydrogen bonds are present involving the N atoms of the primary amine and the amide groups, forming S(6) ring motifs. In the crystal, centrosymmetrically related mol-ecules are linked by pairs of N-H?O hydrogen bonds involving the amide carbonyl O atoms and the primary amine N atoms to form dimers of R 2 2(16) ring motif.

SUBMITTER: Gautier Y

PROVIDER: S-EPMC6505590 | biostudies-literature | 2019 May

REPOSITORIES: biostudies-literature

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Crystal structure of diethyl 2-amino-5-{4-[bis-(4-methyl-phen-yl)amino]-benzamido}-thio-phene-3,4-di-carboxyl-ate.

Gautier Yohan Y Maris Thierry T Skene W G WG

Acta crystallographica. Section E, Crystallographic communications 20190409 Pt 5

In the title compound, C31H31N3O5S, the regioselective substitution of the thio-phene is confirmed with the amine and the amide at the 2- and 5-positions, respectively. In the mol-ecule, the thio-phene ring is twisted by 12.82 (3)° with respect to the aromatic ring of the benzamido group. Intra-molecular N-H⋯O hydrogen bonds are present involving the N atoms of the primary amine and the amide groups, forming S(6) ring motifs. In the crystal, cen ...[more]

PMID: 31110792

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