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(E)-3-Allyl-sulfanyl-N-(4-methoxy-benzyl-idene)-5-(3,4,5-trimethoxy-phen-yl)-4H-1,2,4-triazol-4-amine.

ABSTRACT: The title compound, C(22)H(24)N(4)O(4)S, adopts a trans configuration with respect to the C=N double bond. A weak intra-molecular C-H?N hydrogen bond is observed between the N atom of the C=N double bond and its neighboring phenyl H atom. The crystal structure is stabilized by inter-molecular C-H?N hydrogen bonds and C-H?? inter-actions.

SUBMITTER: Li QZ

PROVIDER: S-EPMC2968670 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

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(E)-3-Allyl-sulfanyl-N-(4-methoxy-benzyl-idene)-5-(3,4,5-trimethoxy-phen-yl)-4H-1,2,4-triazol-4-amine.

Li Qian-Zhu QZ Song Bao-An BA Yang Song S Zheng Yu-Guo YG Guo Qing-Qing QQ

Acta crystallographica. Section E, Structure reports online 20090206 Pt 3

The title compound, C(22)H(24)N(4)O(4)S, adopts a trans configuration with respect to the C=N double bond. A weak intra-molecular C-H⋯N hydrogen bond is observed between the N atom of the C=N double bond and its neighboring phenyl H atom. The crystal structure is stabilized by inter-molecular C-H⋯N hydrogen bonds and C-H⋯π inter-actions. ...[more]

PMID: 21582140

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N-[(E)-2-Chloro-benzyl-idene]-3-(4-methyl-benzyl-sulfan-yl)-5-(3,4,5-trimethoxy-phen-yl)-4H-1,2,4-triazol-4-amine.

Project description:In the title compound, C(26)H(25)ClN(4)O(3)S, the acyclic imine group exhibits an E configuration. The triazole ring is oriented at dihedral angles of 53.84?(2), 70.77?(1) and 32.59?(3)° with respect to the benzene rings of the 2-chloro-benzyl-idene, 4-methyl-benzyl-sulfanyl and 3,4,5-trimethoxy-phenyl groups, respectively. The crystal packing is stabilized by weak inter-molecular C-H?N, C-H?S and C-H?? inter-actions.

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3-Benzyl-sulfanyl-1H-1,2,4-triazol-5-amine.

Project description:In the title mol-ecule, C(9)H(10)N(4)S, the dihedral angle between the benzene and triazole rings is 81.05?(5)°. In the crystal, N-H?N hydrogen bonds link the mol-ecules into infinite zigzag chains along [010].

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3-Benzyl-sulfanyl-5-(4-phenyl-1H-1,2,3-triazol-1-ylmeth-yl)-4H-1,2,4-triazol-4-amine.

Project description:The mol-ecule of the title compound, C(18)H(17)N(7)S, is non-planar, with a dihedral angle of 71.4?(4)° between the two triazole rings, and an angle of 15.5?(3)° between the two phenyl rings. An intra-molecular N-H?S hydrogen bond forms a five-membered ring.

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(E)-N-Benzyl-idene-4H-1,2,4-triazol-4-amine.

Project description:The title compound, C(9)H(8)N(4), crystallizes with three independent mol-ecules (A, B and C) per asymmetric unit. The independent mol-ecules differ slightly in their conformations, the dihedral angles between the triazole and phenyl rings in mol-ecules A, B and C being 4.8?(2), 9.7?(2) and 7.2?(2)°, respectively. In the crystal, the independent mol-ecules are linked into a trimer by C-H?N hydrogen bonds.

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Project description:The title compound, C(11)H(13)N(5), is a Schiff base synthesized by the reaction of 4-amino-4H-1,2,4-triazole and 4-(dimethyl-amino)-benzaldehyde. The dihedral angle between the benzene and triazole rings is 43.09?(11)°. The crystal structure displays weak C-H?N inter-actions.

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Project description:In the title compound, 6C(9)H(10)N(4)S·H(2)O, the dihedral angle between the five-membered triazole ring and the phenyl ring is 44.33 (16)°. The solvent water molecule is disordered about a special position with symmetry and its occupancy cannot be greater than 0.1667. The crystal structure is stabilized by inter-molecular N-H⋯N and C-H⋯N hydrogen bonds.

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Project description:The title compound, C(19)H(17)NO(5), was synthesized as part of a continuing project involving the structures of oxazolone derivatives. The mol-ecule adopts a Z configuration about the central olefinic bond. The 2-phenyl ring is slightly twisted out of the plane of the oxazolone ring system by 11.2 (2)°. The crystal structure is stabilized by weak inter-molecular C-H⋯O hydrogen bonds.

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5-(2-Methoxy-benz-yl)-4-(2-methoxy-phen-yl)-4H-1,2,4-triazol-3-ol.

Project description:In the mol-ecule of the title compound, C(17)H(17)N(3)O(3), the triazole ring is oriented at dihedral angles of 88.09?(3) and 83.72?(3)° with respect to the 2-methoxy-benzyl and 2-methoxy-phenyl rings, respectively. The dihedral angle between the 2-methoxy-benzyl and 2-methoxy-phenyl rings is 52.95?(3)°. In the crystal structure, inter-molecular N-H?O hydrogen bonds link the mol-ecules into centrosymmetric dimers. There is a ?-? contact between the 2-methoxy-phenyl rings [centroid-centroid distance = 3.811?(3)?Å].

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5-(3-Methoxy-pheneth-yl)-4-(2-methoxy-phen-yl)-4H-1,2,4-triazol-3-ol.

Project description:In the mol-ecule of the title compound, C(18)H(19)N(3)O(3), the triazole ring is oriented with respect to the 3-methoxy-phenyl and 2-methoxy-phenyl rings at dihedral angles of 11.79?(3) and 89.22?(3)°, respectively. The dihedral angle between the two benzene rings is 85.95?(3)°. In the crystal structure, inter-molecular O-H?N and C-H?O hydrogen bonds link the mol-ecules. There is a ?-? contact between the triazole and 3-methoxy-phenyl rings [centroid-centroid distance = 3.916?(3)?Å]. There is a ?-? contact between the triazole and one of the 3-methoxy-phenyl rings [centroid-centroid distance = 3.916?(3)?Å ]. C-H?? contacts are also found between the benzene ring and the methyl groups of their 3-methoxy-substituents.

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4-Benzyl-1-p-tolyl-1H-1,2,4-triazol-5(4H)-one.

Project description:In the title compound, C(16)H(15)N(3)O, the triazole ring makes dihedral angles of 7.08?(2) and 74.53?(3)° with the two outer aromatic rings. The crystal packing is stabilized by very short inter-molecular C-H?O hydrogen bonds and weak ?-? stacking inter-actions [centroid-to-centroid distance 3.632?(3)?Å], resulting in the formation of zigzag chains parallel to the b axis.

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