Abstract
The title compound, 3,3,6-trimethyl-3,4-dihydroisocoumarin, C12H14O2, crystallizes into monoclinic space group P21/c with unit-cell parameters: a = 22.303(4), b = 7.0439(11), c = 22.589(4)A, β = 118.624(2)°, Z = 12. The crystal structure was solved by direct methods and refined to a final R-value of 0.0698 for 3521 observed reflections. There are three crystallographically independent molecules in the asymmetric unit. In molecules A and B the heterocyclic ring adopts a distorted half-chair conformation, whereas in molecule C the ring adopts a distorted sofa conformation. The C-H…O type of intermolecular hydrogen bonds and C-H…π weak interactions stabilize the molecules in the unit cell.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callMore From: Analytical Sciences: X-ray Structure Analysis Online
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
