3-Isopropyl-1-{2-[(1-methyl-1H-tetra-zol-5-yl)sulfan-yl]acet-yl}-2,6-di-phenyl-piperidin-4-one hemihydrate.

Acta Crystallogr Sect E Struct Rep Online

Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India.

Published: October 2013

In the title compound, C24H27N5O2S·0.5H2O, the piperidine ring adopts a distorted boat conformation. The phenyl rings subtend dihedral angles of 69.7 (1) and 88.7 (1)° with the best plane through the piperidine moiety. In the crystal, symmetry-related mol-ecules are linked through a network of C-H⋯O and C-H⋯N inter-actions, the former connecting them into zigzag chains along the c-axis direction and the latter forming an R (2) 2(4)motif. The dimer formation (C-H⋯N) and the repetition of symmetry-related molecules (C-H⋯O) along the b-axis direction stabilize the packing mode. The water mol-ecule is located on a twofold rotation axis.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884276PMC
http://dx.doi.org/10.1107/S1600536813026500DOI Listing

Publication Analysis

Top Keywords

3-isopropyl-1-{2-[1-methyl-1h-tetra-zol-5-ylsulfan-yl]acet-yl}-26-di-phenyl-piperidin-4-one hemihydrate
4
hemihydrate title
4
title compound
4
compound c24h27n5o2s·05h2o
4
c24h27n5o2s·05h2o piperidine
4
piperidine ring
4
ring adopts
4
adopts distorted
4
distorted boat
4
boat conformation
4

Similar Publications

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!