2-Oxo-2H-chromen-4-yl 4-tert-butyl-benzoate.

Acta Crystallogr Sect E Struct Rep Online

Published: February 2012

In the title mol-ecule, C(20)H(18)O(4), the three methyl groups of the tert-butyl substituent show rotational disorder. Each methyl group is split over three positions, with refined site-occupation factors of 0.711 (4), 0.146 (3) and 0.144 (4). The benzene ring of the benzoate group is oriented at a dihedral angle of 60.70 (7)° with respect to the planar chromene ring [maximum deviation = 0.046 (2) Å]. The crystal structure features centrosymmetric R(2) (2)(8) dimers formed via C-H⋯O inter-actions, and these dimeric aggregates are connected by C-H⋯π inter-actions.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3275277PMC
http://dx.doi.org/10.1107/S160053681200298XDOI Listing

Publication Analysis

Top Keywords

2-oxo-2h-chromen-4-yl 4-tert-butyl-benzoate
4
4-tert-butyl-benzoate title
4
title mol-ecule
4
mol-ecule c20h18o4
4
c20h18o4 three
4
three methyl
4
methyl groups
4
groups tert-butyl
4
tert-butyl substituent
4
substituent rotational
4

Similar Publications

In the title mol-ecule, C(20)H(18)O(4), the three methyl groups of the tert-butyl substituent show rotational disorder. Each methyl group is split over three positions, with refined site-occupation factors of 0.711 (4), 0.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!