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Rac-4-Amino-1-(2-benzoyl-1-phenyl-eth-yl)-3-methyl-1H-1,2,4-triazole-5(4H)-thione.

ABSTRACT: The title compound, C(18)H(18)N(4)OS, has an almost planar 1,2,4-triazole ring [r.m.s. deviation = 0.0036?(2)?Å], which makes dihedral angles of 78.5?(2) and 77.6?(11)° with the two phenyl rings. An intra-molecular N-H?S inter-action occurs. In the crystal, mol-ecules are linked by an inter-molecular three-centre N-H?(O,S) cyclic hydrogen-bonding inter-action.

SUBMITTER: Wang W

PROVIDER: S-EPMC3051463 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

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rac-4-Amino-1-(2-benzoyl-1-phenyl-eth-yl)-3-methyl-1H-1,2,4-triazole-5(4H)-thione.

Wang Wei W Gao Yan Y Xiao Zuo-Bing ZB Yao Hong-Guo HG Zhang Jing-Jing JJ

Acta crystallographica. Section E, Structure reports online 20110112 Pt 2

The title compound, C(18)H(18)N(4)OS, has an almost planar 1,2,4-triazole ring [r.m.s. deviation = 0.0036 (2) Å], which makes dihedral angles of 78.5 (2) and 77.6 (11)° with the two phenyl rings. An intra-molecular N-H⋯S inter-action occurs. In the crystal, mol-ecules are linked by an inter-molecular three-centre N-H⋯(O,S) cyclic hydrogen-bonding inter-action. ...[more]

PMID: 21523029

Similar Datasets

1-(2-Benzoyl-1-phenyl-eth-yl)-4-[(2-hy-droxy-1-naphth-yl)methyl-idene-amino]-3-phenyl-1H-1,2,4-triazole-5(4H)-thione.

Project description:In the title mol-ecule, C(34)H(26)N(4)O(2)S, the hy-droxy group is involved in an intra-molecular O-H⋯N hydrogen bond. The naphthyl ring system and the central triazole ring form a dihedral angle of 37.8 (1)°. The crystal packing exhibits weak inter-molecular C-H⋯O and C-H⋯π inter-actions.

| S-EPMC3051956 | biostudies-literature

1-(2-Benzoyl-1-phenyl-eth-yl)-4-[(2-hy-droxy-1-naphth-yl)methyl-idene-amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione.

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4-Amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione.

Project description:In the title compound, C(8)H(8)N(4)S, the planar triazole ring forms a dihedral angle of 13.7?(2)° with the phenyl ring. The crystal structure is stabilized by inter-molecular N-H?S hydrogen-bond inter-actions, linking the mol-ecules into chains along the a axis.

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Project description:In the title compound, C(14)H(19)N(3)S, the dihedral angle between the mean planes of the five- and six-membered rings is 74.69?(4)°. Pairs of inter-molecular N-H?S inter-actions link neighbouring mol-ecules into dimers with R(2) (2)(8) ring motifs. These dimers are then linked together by the same type of inter-actions into an infinite one-dimensional chain along the b axis.

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4-[(E)-2-Furylmethyl-eneamino]-3-phenyl-1H-1,2,4-triazole-5(4H)-thione.

Project description:In the title mol-ecule, C(13)H(10)N(4)OS, the triazole ring makes dihedral angles of 16.14 (9) and 58.51 (11)°, respectively, with the phenyl and furan rings. Intra-molecular C-H⋯N hydrogen bonds generate S(5) and S(6) ring motifs. In the crystal structure, centrosymmetrically related mol-ecules are linked via N-H⋯S hydrogen bonds to form dimeric pairs, which are inter-linked via C-H⋯O and C-H⋯π inter-actions.

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Project description:In the title triazole compound, C(14)H(20)N(4)S, the dihedral angle between the triazole and benzene rings is 83.29 (11)°. The methine H atom and two methyl groups of the isobutyl group are disordered over two sites with occupancies of 0.684 (9) and 0.316 (9). In the crystal structure, N-H⋯S hydrogen bonds link the mol-ecules into chains running along the b axis. These chains are cross-linked into a two-dimensional network parallel to the ab plane by C-H⋯S hydrogen bonds.

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