Published in

International Union of Crystallography, Acta Crystallographica Section E: Structure Reports Online, 11(65), p. o2618-o2618, 2009

DOI: 10.1107/s1600536809038999

Links

Tools

Export citation

Search in Google Scholar

1,5-Bis(2,5-dimethyl-1H-pyrrol-1-yl)naphthalene

Journal article published in 2009 by A. C. Santos, M. Ramos Silva, P. V. Monsanto, A. Matos Beja, A. J. F. N. Sobral ORCID
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

Full text: Download

Green circle
Preprint: archiving allowed
Upload
Green circle
Postprint: archiving allowed
Upload
Red circle
Published version: archiving forbidden
Policy details
Data provided by SHERPA/RoMEO

Abstract

In the title compound, C(22)H(22)N(2), the asymmetric unit contains one half-mol-ecule. A crystallographic inversion centre is located at the mid-point of the bond common to both rings, in the central naphthalene unit. Quantum-mechanical ab initio calculations on the isolated mol-ecule showed that the minimum energy configuration occurs when the naphthalene ring system and the pyrrolyl groups deviate only slightly from perpendicularity. In the crystal, due to the effects of crystal packing, the mol-ecule deviates by approximately 4° from the a priori expected ideal value of 90° [C-C-N-C torsion angle = 86.11 (15)°].