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

Anderson BJ, Freedman MB, Smolenski VA, Jasinski JP - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: 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.The dimers are linked via C-H⋯π inter-actions which help stabilize the packing.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Keene State College, 229 Main Street, Keene, NH 03435-2001, USA.

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⋯π inter-actions which help stabilize the packing.

No MeSH data available.


Related in: MedlinePlus

Two independent molecules of the title compound showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 30% probability level.
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Fap1: Two independent molecules of the title compound showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 30% probability level.


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

Anderson BJ, Freedman MB, Smolenski VA, Jasinski JP - Acta Crystallogr E Crystallogr Commun (2015)

Two independent molecules of the title compound showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 30% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4645029&req=5

Fap1: Two independent molecules of the title compound showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 30% probability level.
Bottom Line: 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.The dimers are linked via C-H⋯π inter-actions which help stabilize the packing.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Keene State College, 229 Main Street, Keene, NH 03435-2001, USA.

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⋯π inter-actions which help stabilize the packing.

No MeSH data available.


Related in: MedlinePlus