Abstract
The title compound, C22H13ClF6S, is a hybrid diarylethene derivative with one 3-thienyl substituent, and a Cl-substituted six-membered aryl unit bonded to the double bond of a hexafluorocyclopentene ring. In the crystal structure, the molecule adopts a photo-active antiparallel conformation that can undergo effective photocyclization reactions. The distance between the two reactive C atoms is 3.848 (3) Å. The dihedral angles between the least-squares cyclopentene plane and those of the adjacent thiophene and chlorophenyl rings are 49.39 (8) and 59.88 (8)°, respectively. The F atoms are disordered over two positions, with site occupancy factors of 0.6 and 0.4.
Highlights
The title compound, C22H13ClF6S, is a hybrid diarylethene derivative with one 3-thienyl substituent, and a Cl-substituted six-membered aryl unit bonded to the double bond of a hexafluorocyclopentene ring
This paper presents the synthesis and crystal structure of the title compound a six-membered aryl ring group bearing a Cl atom
The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry
Summary
Jiangxi Key Laboratory of Organic Chemistry, Jiangxi Science & Technology Normal. Key indicators: single-crystal X-ray study; T = 291 K; mean (C–C) = 0.004 Å; disorder in main residue; R factor = 0.037; wR factor = 0.100; data-to-parameter ratio = 11.5. The title compound, C22H13ClF6S, is a hybrid diarylethene derivative with one 3-thienyl substituent, and a Cl-substituted six-membered aryl unit bonded to the double bond of a hexafluorocyclopentene ring. The molecule adopts a photo-active antiparallel conformation that can undergo effective photocyclization reactions. The distance between the two reactive C atoms is 3.848 (3) Å. The dihedral angles between the least-squares cyclopentene plane and those of the adjacent thiophene and chlorophenyl rings are. The F atoms are disordered over two positions, with site occupancy factors of
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