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4-[(E)-2,6-Dichloro-benzyl-ideneamino]-3-{1-[4-(2-methyl-prop-yl)phen-yl]eth-yl}-1H-1,2,4-triazole-5(4H)-thione.


ABSTRACT: In the title Schiff base compound, C(21)H(22)Cl(2)N(4)S, the triazole ring makes dihedral angles of 2.15?(11) and 87.48?(11)° with the 2,6-dichloro-phenyl and methyl-propyl-phenyl rings, respectively. Weak intra-molecular C-H?S and C-H?Cl inter-actions generate S(6) and S(5) ring motifs, respectively. In the crystal structure, centrosymmetrically related mol-ecules are linked into dimers by N-H?S hydrogen bonds. These dimers are arranged into sheets parallel to the ab plane and are stacked along the c axis. C-H?? inter-actions involving the methyl-propyl-phenyl ring and ?-? inter-actions involving the dichloro-phenyl ring [centroid-centroid distance = 3.5865?(3)?Å] are also observed.

SUBMITTER: Fun HK 

PROVIDER: S-EPMC2962131 | biostudies-other | 2008

REPOSITORIES: biostudies-other

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4-[(E)-2,6-Dichloro-benzyl-ideneamino]-3-{1-[4-(2-methyl-prop-yl)phen-yl]eth-yl}-1H-1,2,4-triazole-5(4H)-thione.

Fun Hoong-Kun HK   Chantrapromma Suchada S   Sujith K V KV   Patil P S PS   Kalluraya B B   Muralidharan A A   Dharmaprakash S M SM  

Acta crystallographica. Section E, Structure reports online 20080716 Pt 8


In the title Schiff base compound, C(21)H(22)Cl(2)N(4)S, the triazole ring makes dihedral angles of 2.15 (11) and 87.48 (11)° with the 2,6-dichloro-phenyl and methyl-propyl-phenyl rings, respectively. Weak intra-molecular C-H⋯S and C-H⋯Cl inter-actions generate S(6) and S(5) ring motifs, respectively. In the crystal structure, centrosymmetrically related mol-ecules are linked into dimers by N-H⋯S hydrogen bonds. These dimers are arranged into sheets parallel to the ab plane and are stacked along  ...[more]

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