Crystal structure of 4-chloro-2-[(5-eth-oxy-1,3,4-thia-diazol-2-yl)meth-yl]-5-(piperidin-1-yl)pyridazin-3(2H)-one

Hongsen Li; Xinfeng Ren; Ya Li; Linjing Zhao

doi:10.1107/S1600536814020662

Crystal structure of 4-chloro-2-[(5-eth-oxy-1,3,4-thia-diazol-2-yl)meth-yl]-5-(piperidin-1-yl)pyridazin-3(2H)-one

Acta Crystallogr Sect E Struct Rep Online. 2014 Sep 20;70(Pt 10):o1113. doi: 10.1107/S1600536814020662. eCollection 2014 Oct 1.

Authors

Hongsen Li¹, Xinfeng Ren¹, Ya Li¹, Linjing Zhao¹

Affiliation

¹ College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science, 333 Longteng Road, Shanghai, People's Republic of China.

Abstract

In the title mol-ecule, C14H18ClN5O2S, the six atoms of the 1,6-di-hydro-pyridazine ring are essentially coplanar (r.m.s. deviation = 0.008 Å), and the dihedral angle between this and the 1,3,4-thia-diazole ring is 62.06 (10)°. In the crystal, centrosymmetrically related mol-ecules are linked by inter-molecular C-H-O hydrogen bonding to form a supra-molecular dimer. The terminal ethyl group is statistically disordered over two positions.

Keywords: C—H—O hydrogen bonding; crystal structure; pyridazinone derivatives.