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Ethyl 2-amino-4,5-dimethyl-thio-phene-3-carboxyl-ate.

ABSTRACT: In the title compound, C(9)H(13)NO(2)S, the mean planes of thio-phene ring [maximum deviation = 0.0042 (10) Å] and eth-oxy-carbonyl group [0.0242 (15) Å] are almost coplanar [dihedral angle between them = 0.68 (11)°]. The H atoms of the two methyl groups attached to the thio-phene ring are each disordered over two orientations with site-occupancy ratios of 0.77 (4):0.23 (4) and 0.84 (4):0.16 (4). An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds into an infinite wave-like chain running parallel to the b-axis direction. The crystal structure also features C-H⋯π inter-actions.

SUBMITTER: Ghorab MM 

PROVIDER: S-EPMC3393923 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

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Ethyl 2-amino-4,5-dimethyl-thio-phene-3-carboxyl-ate.

Ghorab Mostafa M MM   Al-Said Mansour S MS   Ghabbour Hazem A HA   Chia Tze Shyang TS   Fun Hoong-Kun HK  

Acta crystallographica. Section E, Structure reports online 20120616 Pt 7

In the title compound, C(9)H(13)NO(2)S, the mean planes of thio-phene ring [maximum deviation = 0.0042 (10) Å] and eth-oxy-carbonyl group [0.0242 (15) Å] are almost coplanar [dihedral angle between them = 0.68 (11)°]. The H atoms of the two methyl groups attached to the thio-phene ring are each disordered over two orientations with site-occupancy ratios of 0.77 (4):0.23 (4) and 0.84 (4):0.16 (4). An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are  ...[more]

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