In the title compound, C(27)H(30)N(4)OS, the 3-(adamantan-1-yl)-4-amino-1H-1,2,4-triazole-5(4H)-thione unit and the O atom are each disordered over two sets of sites with refined site-occupancies of 0.7630 (13) and 0.2370 (13). The 1,2,4-triazole ring of the major component forms dihedral angles of 62.61 (17) and 61.93 (16)° with the benzene rings, while that of the minor component makes corresponding angles of 86.3 (4) and 79.1 (4)°. The dihedral angle between the benzene rings is 39.21 (16)°. The mol-ecular structure is stabilized by an intra-molecular C-H⋯N hydrogen bond, which generates an S(6) ring motif. In the crystal, mol-ecules are linked into inversion dimers by pairs of N-H⋯S hydrogen bonds.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344558PMC
http://dx.doi.org/10.1107/S1600536812015929DOI Listing

Publication Analysis

Top Keywords

benzene rings
8
3-1-adamant-yl-4-amino-1-2-benzoyl-1-phenyl-eth-yl-1h-124-triazol-54h-thione title
4
title compound
4
compound c27h30n4os
4
c27h30n4os 3-adamantan-1-yl-4-amino-1h-124-triazole-54h-thione
4
3-adamantan-1-yl-4-amino-1h-124-triazole-54h-thione unit
4
unit atom
4
atom disordered
4
disordered sets
4
sets sites
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!