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(E)-3-Dimethyl-amino-1-(1,3-thia-zol-2-yl)prop-2-en-1-one.

ABSTRACT: In the title compound, C8H10N2OS, the 3-(dimethyl-amino)-prop-2-en-1-one unit is approximately planar [give r.m.s. deviation] and the mean plane through the seven non-H atoms makes a dihedral angle of 8.88?(3)° with the thia-zole ring. The carbonyl and ring C=N double bonds adjacent to the carbonyl group are trans [N-C-C-O = 172.31?(15) °], while the conformation of the carbonyl and propene double bonds is cis [O-C-C-C = 2.2?(2)°]. In the crystal, short C-H?N and C-H?O inter-actions together with C-H?? inter-actions generate a three-dimensional network.

SUBMITTER: You XY 

PROVIDER: S-EPMC3588356 | biostudies-literature | 2013 Jan

REPOSITORIES: biostudies-literature

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(E)-3-Dimethyl-amino-1-(1,3-thia-zol-2-yl)prop-2-en-1-one.

You Xin-Yu XY   Shi Yao-Jie YJ   Yu Luo-Ting LT  

Acta crystallographica. Section E, Structure reports online 20121205 Pt 1

In the title compound, C8H10N2OS, the 3-(dimethyl-amino)-prop-2-en-1-one unit is approximately planar [give r.m.s. deviation] and the mean plane through the seven non-H atoms makes a dihedral angle of 8.88 (3)° with the thia-zole ring. The carbonyl and ring C=N double bonds adjacent to the carbonyl group are trans [N-C-C-O = 172.31 (15) °], while the conformation of the carbonyl and propene double bonds is cis [O-C-C-C = 2.2 (2)°]. In the crystal, short C-H⋯N and C-H⋯O inter-actions together wit  ...[more]

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