25,26,27,28-Tetra-propoxycalix[4]arene-5,17-dicarbonitrile.
Ontology highlight
ABSTRACT: In the title compound, C(42)H(46)N(2)O(4), both crystallographically independent mol-ecules display a 1,3-alternate conformation. Their crystal packing is stabilized by non-classical C-H⋯N hydrogen bonds. The dihedral angles between the planes of the aromatic rings and the mean plane through the methyl-ene C atoms bridging the aromatic rings are 78.10 (13), 80.74 (14), 81.89 (12) and 79.05 (14)° for the first mol-ecule, and 71.65 (11), 76.60 (13), 77.97 (14) and 74.76 (13)° for the second mol-ecule. Both mol-ecules have three C atoms of one prop-oxy chain disordered over two set of sites; the site-occupancy factors are 0.7/0.3 and 0.6/0.4, respectively.
SUBMITTER: Budka J
PROVIDER: S-EPMC2979721 | biostudies-literature | 2010 Jan
REPOSITORIES: biostudies-literature
ACCESS DATA