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Ethyl 3-amino-5-anilino-4-cyano-thio-phene-2-carboxyl-ate.

ABSTRACT: In the title compound, C14H13N3O2S, the dihedral angle between the thio-phene and phenyl rings is 24.95?(8)°. The mol-ecular structure is consolidated by intra-molecular N-H?O and C-H?S inter-actions. The crystal structure features N-H?N and N-H?O hydrogen bonds forming centrosymmetric R 2 (2)(12) dimers, which are linked into a two-dimensional network parallel to (011) with an S(6)R 2 (2) S(6) motif. In addition, ?-? stacking inter-actions [centroid-centroid distance = 3.7013?(12)?Å] occur between the thio-phene and phenyl rings of adjacent mol-ecules.

SUBMITTER: El-Saghier AM

PROVIDER: S-EPMC3793747 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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Ethyl 3-amino-5-anilino-4-cyano-thio-phene-2-carboxyl-ate.

El-Saghier Ahmed M M AM Akkurt Mehmet M Mohamed Shaaban K SK Horton Peter N PN Albayati Mustafa R MR

Acta crystallographica. Section E, Structure reports online 20130713 Pt 8

In the title compound, C14H13N3O2S, the dihedral angle between the thio-phene and phenyl rings is 24.95 (8)°. The mol-ecular structure is consolidated by intra-molecular N-H⋯O and C-H⋯S inter-actions. The crystal structure features N-H⋯N and N-H⋯O hydrogen bonds forming centrosymmetric R 2 (2)(12) dimers, which are linked into a two-dimensional network parallel to (011) with an S(6)R 2 (2) S(6) motif. In addition, π-π stacking inter-actions [centroid-centroid distance = 3.7013 (12) Å] occur betw ...[more]

PMID: 24109334

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