Crystal structure of 3-methyl­pyridine-2-carbaldehyde 4-methyl­thio­semi­carba­zone monohydrate

Acta Crystallographica Section E: Crystallographic Communications

Mokhtaruddin, N.S.M.¹  Tahir, M.I.M.¹  Ravoof, T.B.S.A.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;    HYDROGEN BONDING;    THIOSEMICARBAZONE;   

DOI  :  10.1107/S2056989015005034

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

In the title hydrate, C9H12N4S·H2O (systematic name: 3-methyl-1-{(E)-[(3-methyl­pyridin-2-yl)methyl­idene]amino}­thio­urea monohydrate), a small twist is noted between the pyridine ring and the rest of the organic mol­ecule [dihedral angle = 6.96 (5)°]. The imine and pyridine N atoms are syn, and the amine H atoms are anti. The latter arrangement allows for the formation of an intra­molecular N—H⋯N(imine) hydrogen bond. Both the N-bonded H atoms form hydrogen bonds to symmetry-related water mol­ecules, and the latter forms O—H hydrogen bonds with the pyridine N and thione S atoms. These inter­actions lead to supra­molecular layers that stack along the a-axis direction with no specific inter­actions between them.

【 授权许可】

CC BY