Directory of Open Access Journals
Search Browse
Suggest Support DOAJ For publishers About Contact us
  Advanced Search
In: Journals   Articles    

Browse results: Found 1

Listing 1 - 1 of 1

Article
7-(4-Bromophenyl)-9-phenyl-7H-pyrrolo[3,2-e]tetrazolo[1,5-c]pyrimidine

Authors: Mukesh M. Jotani --- Rina D. Shah --- Jerry P. Jasinski --- Ray J. Butcher
Journal: Acta Crystallographica Section E ISSN/EISSN: 16005368 Year: 2010 Volume: 66 Issue: 3 Pages: o574-o574 DOI: 10.1107/S1600536810004368
Publisher: The International Union of Crystallography

Abstract | Keywords | Fulltext | Export | TOC | Share

Loading...
Loading...
Abstract

In the title compound, C18H11BrN6, the phenyl ring is almost coplanar [dihedral angle 7.2 (1)°] with the planar (r.m.s. deviation 0.039 Å) tricyclic ring system while the 4-bromophenyl ring makes a dihedral angle of 33.98 (6)° with the ring system. Weak intermolecular C—H...N and C—H...Br hydrogen-bonding interactions and π–π stacking [centroid–centroid distances = 3.7971 (17) and 3.5599 (16) Å] stabilize the crystal packing. A comparison of the structure to a MOPAC PM3 geometry optimization calculation in vacuo supports these observations.

Keywords

Listing 1 - 1 of 1
DOAJ - Directory of Open Access Journals is provided by Infrastructure Services for Open Access in cooperation with SemperTool
©2013 SemperTool