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2-[5-(1,3-Benzodioxol-5-yl)-3-ferrocenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-phenyl-1,3-thia-zole.

ABSTRACT: In the title compound, [Fe(C(5)H(5))(C(24)H(18)N(3)O(2)S)], the pyrazoline ring adopts a twist conformation. The thia-zole ring forms dihedral angles of 83.7?(2) and 34.4?(2)° with the benzene ring of the benzodioxole ring and the fused phenyl ring, respectively. The mol-ecular conformation is stabilized by an intra-molecular C-H?? inter-action. The crystal packing features inter-molecular C-H?N, C-H?O hydrogen bonds and weak C-H?? inter-actions.

SUBMITTER: Liu WY

PROVIDER: S-EPMC2983240 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

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2-[5-(1,3-Benzodioxol-5-yl)-3-ferrocenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-phenyl-1,3-thia-zole.

Liu Wei-Yong WY Xie Yong-Sheng YS Wang Bai-Shan BS Zhao Bao-Xiang BX

Acta crystallographica. Section E, Structure reports online 20100918 Pt 10

In the title compound, [Fe(C(5)H(5))(C(24)H(18)N(3)O(2)S)], the pyrazoline ring adopts a twist conformation. The thia-zole ring forms dihedral angles of 83.7 (2) and 34.4 (2)° with the benzene ring of the benzodioxole ring and the fused phenyl ring, respectively. The mol-ecular conformation is stabilized by an intra-molecular C-H⋯π inter-action. The crystal packing features inter-molecular C-H⋯N, C-H⋯O hydrogen bonds and weak C-H⋯π inter-actions. ...[more]

PMID: 21587419

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