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Journal of Structural Chemistry

, Volume 37, Issue 6, pp 990–994 | Cite as

Crystal and molecular structure of 9-exo-(4-nitrophenyl)thio-10endo-chlorotricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene

  • A. N. Chekhlov
Brief Communications
  • 18 Downloads

Abstract

Crystal and molecular structure of 9-exo-(4-nitrophenyl)thio-10-endo-chlorotricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene (I) was determined by X-ray diffraction analysis: space group P21/c, a=9.514(1), b=13.457(1), c=13.163(2) Å, β=104.72(1)°, Z=4, R=0.041 (CAD-4 automatic diffractometer, λCuKα, 2747 independent reflections with I≥3σ). The framework of molecule I consists of three condensed rings: the benzene ring, the cyclopentene ring having an envelope conformation with a flap at the bridging C atom, and the cyclohexane ring having a distorted chair conformation. The-SAr and Cl substituents have a trans-diaxial orientation at the cyclohexane ring. Molecule I is sterically hindered; it has appreciably reduced interatomic contacts: Cl…C2, Cl…C7, S…C12, etc.

Keywords

Cyclohexane Ring Volatile Sulfur Compound Cyclopentene Ring Condensed Ring Interatomic Contact 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Plenum Publishing Corporation 1997

Authors and Affiliations

  • A. N. Chekhlov

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