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N'-[(2Z)-3-Allyl-4-oxo-1,3-thia-zolidin-2-yl-idene]-5-fluoro-3-phenyl-1H-indole-2-carbohydrazide.

ABSTRACT: In the title compound, C(21)H(17)FN(4)O(2)S, the planar indole fused-ring [maximum deviation 0.009?(1)?Å] makes dihedral angles of 54.75?(9) and 14.90?(9)°, respectively, with the phenyl ring and the dihydro-thia-zolyl ring. The -CH2CH=CH(2) substituent is disordered over two positions in a 0.51?(1):0.49?(1) ratio. An intra-molecular N-H?S hydrogen bond generates an S(5) ring motif. The two independent mol-ecules are linked into a dimer by two N-H?O hydrogen bonds, forming an R(2) (2)(10) ring motif. The crystal structure features inter-molecular C-H?? and ?-? stacking [centroid-centroid distance = 3.679?(1)?Å] inter-actions. C-H?O and C-H?F inter-actions are also present.

SUBMITTER: Akkurt M

PROVIDER: S-EPMC2977697 | biostudies-literature | 2009 Apr

REPOSITORIES: biostudies-literature

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N'-[(2Z)-3-Allyl-4-oxo-1,3-thia-zolidin-2-yl-idene]-5-fluoro-3-phenyl-1H-indole-2-carbohydrazide.

Akkurt Mehmet M Karaca Selvi S Cihan Gökçe G Capan Gültaze G Büyükgüngör Orhan O

Acta crystallographica. Section E, Structure reports online 20090408 Pt 5

In the title compound, C(21)H(17)FN(4)O(2)S, the planar indole fused-ring [maximum deviation 0.009 (1) Å] makes dihedral angles of 54.75 (9) and 14.90 (9)°, respectively, with the phenyl ring and the dihydro-thia-zolyl ring. The -CH2CH=CH(2) substituent is disordered over two positions in a 0.51 (1):0.49 (1) ratio. An intra-molecular N-H⋯S hydrogen bond generates an S(5) ring motif. The two independent mol-ecules are linked into a dimer by two N-H⋯O hydrogen bonds, forming an R(2) (2)(10) ring m ...[more]

PMID: 21583833

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Crystal structure of (Z)-3-allyl-5-(4-chloro-benzyl-idene)-2-sulfanyl-idene-1,3-thia-zolidin-4-one.

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