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

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)°.

SUBMITTER: Yang W 

PROVIDER: S-EPMC3238907 | biostudies-other | 2011 Dec

REPOSITORIES: biostudies-other