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3-{1-[4-(2-Methyl-prop-yl)phen-yl]eth-yl}-1-(morpholinometh-yl)-4-(4-nitro-benzyl-ideneamino)-1H-1,2,4-triazole-5(4H)-thione.

ABSTRACT: The title ibuprofen-containing Mannich derivative, C(26)H(32)N(6)O(3)S, crystallizes with two independent mol-ecules in the asymmetric unit. The morpholine ring in each mol-ecule adopts a chair conformation. The 1,2,4-triazole ring forms dihedral angles of 2.13?(10) and 75.52?(10)° with the two substituted benzene rings in one mol-ecule, with corresponding values of 19.36?(11)° and 89.03?(10)° in the other. The nitro groups are twisted from the attached benzene ring in each mol-ecule. In the crystal packing, mol-ecules are linked into supra-molecular chains via weak C-H?O, C-H?N and C-H?S inter-actions, and C-H?? and N-O?? links also occur.

SUBMITTER: Fun HK

PROVIDER: S-EPMC2968455 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

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3-{1-[4-(2-Methyl-prop-yl)phen-yl]eth-yl}-1-(morpholinometh-yl)-4-(4-nitro-benzyl-ideneamino)-1H-1,2,4-triazole-5(4H)-thione.

Fun Hoong-Kun HK Chantrapromma Suchada S Sujith K V KV Kalluraya B B

Acta crystallographica. Section E, Structure reports online 20090211 Pt 3

The title ibuprofen-containing Mannich derivative, C(26)H(32)N(6)O(3)S, crystallizes with two independent mol-ecules in the asymmetric unit. The morpholine ring in each mol-ecule adopts a chair conformation. The 1,2,4-triazole ring forms dihedral angles of 2.13 (10) and 75.52 (10)° with the two substituted benzene rings in one mol-ecule, with corresponding values of 19.36 (11)° and 89.03 (10)° in the other. The nitro groups are twisted from the attached benzene ring in each mol-ecule. In the cry ...[more]

PMID: 21582161

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

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