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Ethyl 4-[({[(6-chloro-pyridin-3-yl)meth-yl](meth-yl)amino}(4-fluoro-anilino)-methyl-idene)amino]-3-phenyl-2-sulfanyl-idene-2,3-dihydro-1,3-thia-zole-5-carboxyl-ate.

ABSTRACT: In the title compound, C(26)H(23)ClFN(5)O(2)S(2), the mean plane of the guanidine fragment makes dihedral angles of 58.94?(13), 78.37?(17) and 50.76?(15)°, respectively, with the attached thia-zole, pyridine and phenyl rings. The crystal structure features N-H?S and C-H?O hydrogen bonds and weak ?-? stacking inter-actions [centroid-centroid separation = 3.7702?(17)?Å]. The terminal methyl group of the eth-oxy-carbonyl group is disordered over two orientations in a 0.836?(10):0.164?(10) ratio.

SUBMITTER: He HF

PROVIDER: S-EPMC3394060 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

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Ethyl 4-[({[(6-chloro-pyridin-3-yl)meth-yl](meth-yl)amino}(4-fluoro-anilino)-methyl-idene)amino]-3-phenyl-2-sulfanyl-idene-2,3-dihydro-1,3-thia-zole-5-carboxyl-ate.

He Hai-Feng HF He Hong-Wu HW Liang Ying Y Yang Zi-Wen ZW

Acta crystallographica. Section E, Structure reports online 20120630 Pt 7

In the title compound, C(26)H(23)ClFN(5)O(2)S(2), the mean plane of the guanidine fragment makes dihedral angles of 58.94 (13), 78.37 (17) and 50.76 (15)°, respectively, with the attached thia-zole, pyridine and phenyl rings. The crystal structure features N-H⋯S and C-H⋯O hydrogen bonds and weak π-π stacking inter-actions [centroid-centroid separation = 3.7702 (17) Å]. The terminal methyl group of the eth-oxy-carbonyl group is disordered over two orientations in a 0.836 (10):0.164 (10) ratio. ...[more]

PMID: 22798925

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