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Diethyl 5,5'-thio-bis[2-amino-4-(4-fluoro-phen-yl)-1-phenyl-1H-pyrrole-3-carboxyl-ate].

ABSTRACT: In the title compound, C(38)H(32)F(2)N(4)O(4)S, the ethyl chain of the ethoxy-carbonyl group displays rotational disorder with site occupancy factors ca 0.6 and 0.4. The S atom lies on a twofold rotation axis. There are both inter- and intra-molecular hydrogen bonds in the crystal structure. An intra-molecular N-H⋯O hydrogen bond forms a six-membered ring, while an inter-molecular N-H⋯F hydrogen bond results in a chain.

SUBMITTER: Li M

PROVIDER: S-EPMC2914983 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

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Diethyl 5,5'-thio-bis[2-amino-4-(4-fluoro-phen-yl)-1-phenyl-1H-pyrrole-3-carboxyl-ate].

Li Ming M Cao Guo-Rui GR Weng Li-Rong LR

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

In the title compound, C(38)H(32)F(2)N(4)O(4)S, the ethyl chain of the ethoxy-carbonyl group displays rotational disorder with site occupancy factors ca 0.6 and 0.4. The S atom lies on a twofold rotation axis. There are both inter- and intra-molecular hydrogen bonds in the crystal structure. An intra-molecular N-H⋯O hydrogen bond forms a six-membered ring, while an inter-molecular N-H⋯F hydrogen bond results in a chain. ...[more]

PMID: 21200775

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