Skip to main content

N-{2-[(3,5-Di-tert-butyl-4-oxo­cyclo­hexa-2,5-dien-1-yl­idene)­amino]­phenyl}-N-(5,7-di­nitro­quinolin-8-yl)-1-phenyl­methanesulfon­amide: the nature of intramolecular shortened contacts

Buy Article:

$51.00 plus tax (Refund Policy)

Abstract:

The title compound, C36H35N5O7S, is found to exist in a non-spiro­cyclic (ring-opened) form in the crystal, although equilibrium of ring-opened and ring-closed forms (or so-called ring–chain isomerization) is possible in solution. The 4-oxo­cyclo­hexa-2,5-diene ring has a flattened sofa conformation. The N…C intramolecular separation of the atoms which would be directly bonded in a ring-closed form is quite short [2.813 (5) Å]. Topological analysis of charge density based on density-functional-theory calculations was used for consideration of shortened intramolecular contacts and indicates a strong attractive bonding interaction between these N and C atoms in the crystal structure.

Document Type: Research Article

DOI: http://dx.doi.org/10.1107/S0108270104003439

Publication date: April 1, 2004

bsc/ayc/2004/00000060/00000004/art00029
dcterms_title,dcterms_description,pub_keyword
6
5
20
40
5

Access Key

Free Content
Free content
New Content
New content
Open Access Content
Open access content
Subscribed Content
Subscribed content
Free Trial Content
Free trial content
Cookie Policy
X
Cookie Policy
Ingenta Connect website makes use of cookies so as to keep track of data that you have filled in. I am Happy with this Find out more