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An ortho-rhom-bic polymorph of pyrazino-[2,3-f][1,10]phenanthroline-2,3-dicarbonitrile.

Authors :
Yang W
Qiu QM
Zhou LL
Jin QH
Zhang CL
Source :
Acta crystallographica. Section E, Structure reports online [Acta Crystallogr Sect E Struct Rep Online] 2011 Dec 01; Vol. 67 (Pt 12), pp. o3250-1. Date of Electronic Publication: 2011 Nov 09.
Publication Year :
2011

Abstract

The title compound, C(16)H(6)N(6), is a polymorph of the previously reported structure [Kozlov & Goldberg (2008 ▶). Acta Cryst. C64, o498-o501]. Unlike the previously reported monoclinic polymorph (space group P2(1)/c, Z = 8), the title compound reveals ortho-rhom-bic symmetry (space group Pnma, Z = 4). The mol-ecule shows crystallographic mirror symmetry, while the previously reported structure exhibits two independent mol-ecules per asymmetric unit. In the title compound, adjacent mol-ecules are essentially parallel along the c axis and tend to be vertical along the b axis with dihedral angles of 72.02 (6)°. However, in the reported polymorph, the entire crystal structure shows an anti-parallel arrangement of adjacent columns related by inversion centers and the two independent mol-ecules are nearly parallel with a dihedral angle of 2.48 (6)°.

Details

Language :
English
ISSN :
1600-5368
Volume :
67
Issue :
Pt 12
Database :
MEDLINE
Journal :
Acta crystallographica. Section E, Structure reports online
Publication Type :
Academic Journal
Accession number :
22199760
Full Text :
https://doi.org/10.1107/S1600536811047039