Crystal structure of 2′-hy­droxy­aceto­phenone 4-methyl­thio­semicarbazide

Acta Crystallographica Section E: Crystallographic Communications

Jamsari, J.¹  Ravoof, T.B.S.A.¹  Abas, N.F.¹  Tiekink, E.R.T.² 

[1] Department of Chemistry, Universiti Putra Malaysia, 43400 Serdang, Malaysia;Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia

关键词: CRYSTAL STRUCTURE;    THIOSEMICARBAZIDE;    HYDROGEN BONDING;    O-H...[PI] INTERACTIONS;   

DOI  :  10.1107/S2056989015004958

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

In the organic mol­ecule of the title hydrate, C11H15N3OS·H2O, {systematic name: 3-ethyl-1-{(E)-[1-(2-hy­droxy­phen­yl)ethyl­idene]amino}­thio­urea monohydrate}, a dihedral angle of 5.39 (2)° is formed between the hy­droxy­benzene ring and the non-H atoms comprising the side chain (r.m.s. deviation = 0.0625 Å), with the major deviation from planarity noted for the terminal ethyl group [the C—N—C—C torsion angle = −172.17 (13)°]. The N—H H atoms are syn and an intra­molecular hy­droxy–imine O—H⋯N hydrogen bond is noted. In the crystal, the N-bonded H atoms form hydrogen bonds to symmetry-related water mol­ecules, and the latter form donor inter­actions with the hy­droxy O atom and with a hy­droxy­benzene ring, forming a O—H⋯π inter­action. The hydrogen bonding leads to supra­molecular tubes aligned along the b axis. The tubes are connected into layers via C—H⋯O inter­actions, and these stack along the c axis with no directional inter­actions between them.

【 授权许可】

CC BY