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3-(1-Adamant-yl)-4-amino-1-(2-benzoyl-1-phenyl-eth-yl)-1H-1,2,4-triazol-5(4H)-thione.

Lahsasni S, El-Emam AA, El-Brollosy NR, Quah CK, Fun HK - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: 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.

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ABSTRACT
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.

No MeSH data available.


Related in: MedlinePlus

The molecular structure of the title compound showing 30% probability displacement ellipsoids for non-H atoms. All disorder components are shown.
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Fap1: The molecular structure of the title compound showing 30% probability displacement ellipsoids for non-H atoms. All disorder components are shown.


3-(1-Adamant-yl)-4-amino-1-(2-benzoyl-1-phenyl-eth-yl)-1H-1,2,4-triazol-5(4H)-thione.

Lahsasni S, El-Emam AA, El-Brollosy NR, Quah CK, Fun HK - Acta Crystallogr Sect E Struct Rep Online (2012)

The molecular structure of the title compound showing 30% probability displacement ellipsoids for non-H atoms. All disorder components are shown.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3344558&req=5

Fap1: The molecular structure of the title compound showing 30% probability displacement ellipsoids for non-H atoms. All disorder components are shown.
Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
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.

No MeSH data available.


Related in: MedlinePlus