The crystal structure of 1-(2-hydroxy-5-methoxyphenyl)ethanone 4,4-dimethylthiosemicarbazone

Acta Crystallographica Section E: Crystallographic Communications

Michael B. Freedman¹  Brian J. Anderson¹  Victoria A. Smolenski¹  Jerry P. Jasinski¹ 

[1] Department of Chemistry, Keene State College, 229 Main Street, Keene, NH 03435-2001, USA;

关键词: crystal structure;    thiosemicarbazone;    weak intermolecular interactions;    C—H...π interactions;   

DOI  :  10.1107/S2056989015018228

来源: DOAJ

【 摘 要 】

The asymmetric unit of the title compound, C12H17N3O2S, contains two independent molecules, A and B. Both molecules are nearly planar with the dihedral angle between the mean planes of the thioamide group and benzene ring being 7.5 (1)° in A and 4.3 (2)° in B. In each molecule, the hydroxy group participates in intramolecular 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 interactions which help stabilize the packing.

【 授权许可】

Unknown