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1-[2-Oxo-5-(trifluoro-meth-oxy)indolin-3-yl-idene]-4-[4-(trifluoro-methyl)-phen-yl]thio-semicarbazide.


ABSTRACT: In the title compound, C(17)H(10)F(6)N(4)O(2)S, an intra-molecular N-H?N hydrogen bonds forms an S(5) ring whereas N-H?O and C-H?S inter-actions complete S(6) ring motifs. The dihedral angle between the fused ring system and the phenyl ring is 6.68?(8)°. In the crystal, the mol-ecules are dimerized due to N-H?O inter-actions. ?-? inter-actions are present between the benzene rings [centroid-centroid distance = 3.6913?(15)?Å] and between the five membered ring and the trifluoro-meth-yl)phenyl ring [centroids-centroid distance = 3.7827?(16)?Å]. One of the trifluoro-meth-oxy F atoms is disordered over two sites with occupancy ratio of 0.76?(3):0.24?(3). The F atoms of the p-trifluoro-methyl substituent are disordered over three sets of sites with an occupancy ratio of 0.70?(2):0.152?(11):0.147?(13).

SUBMITTER: Pervez H 

PROVIDER: S-EPMC3006819 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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1-[2-Oxo-5-(trifluoro-meth-oxy)indolin-3-yl-idene]-4-[4-(trifluoro-methyl)-phen-yl]thio-semicarbazide.

Pervez Humayun H   Iqbal Mohammad S MS   Saira Naveeda N   Yaqub Muhammad M   Tahir M Nawaz MN  

Acta crystallographica. Section E, Structure reports online 20100623 Pt 7


In the title compound, C(17)H(10)F(6)N(4)O(2)S, an intra-molecular N-H⋯N hydrogen bonds forms an S(5) ring whereas N-H⋯O and C-H⋯S inter-actions complete S(6) ring motifs. The dihedral angle between the fused ring system and the phenyl ring is 6.68 (8)°. In the crystal, the mol-ecules are dimerized due to N-H⋯O inter-actions. π-π inter-actions are present between the benzene rings [centroid-centroid distance = 3.6913 (15) Å] and between the five membered ring and the trifluoro-meth-yl)phenyl rin  ...[more]

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