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The crystal structure of 1-(2-hydroxy-5-meth-oxy-phen-yl)ethanone 4,4-di-methyl-thio-semicarbazone.


ABSTRACT: The asymmetric unit of the title compound, C12H17N3O2S, contains two independent mol-ecules, A and B. Both mol-ecules are nearly planar with the dihedral angle between the mean planes of the thio-amide group and benzene ring being 7.5?(1)° in A and 4.3?(2)° in B. In each mol-ecule, the hy-droxy group participates in intra-molecular O-H?N hydrogen bonding, while the amino H atom is not involved in hydrogen bonding because of the steric hinderence caused by two neighboring methyl groups. In the crystal, the individual molecules are linked by weak C-H?O hydrogen bonds, forming A-A and B-B inversion dimers. The dimers are linked via C-H?? inter-actions which help stabilize the packing.

SUBMITTER: Anderson BJ 

PROVIDER: S-EPMC4645029 | biostudies-literature | 2015 Nov

REPOSITORIES: biostudies-literature

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The crystal structure of 1-(2-hydroxy-5-meth-oxy-phen-yl)ethanone 4,4-di-methyl-thio-semicarbazone.

Anderson Brian J BJ   Freedman Michael B MB   Smolenski Victoria A VA   Jasinski Jerry P JP  

Acta crystallographica. Section E, Crystallographic communications 20151003 Pt 11


The asymmetric unit of the title compound, C12H17N3O2S, contains two independent mol-ecules, A and B. Both mol-ecules are nearly planar with the dihedral angle between the mean planes of the thio-amide group and benzene ring being 7.5 (1)° in A and 4.3 (2)° in B. In each mol-ecule, the hy-droxy group participates in intra-molecular O-H⋯N hydrogen bonding, while the amino H atom is not involved in hydrogen bonding because of the steric hinderence caused by two neighboring methyl groups. In the cr  ...[more]

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