Abstract
The title compound, C16H6N6, is a polymorph of the previously reported structure [Kozlov & Goldberg (2008 ▶). Acta Cryst. C64, o498–o501]. Unlike the previously reported monoclinic polymorph (space group P21/c, Z = 8), the title compound reveals orthorhombic symmetry (space group Pnma, Z = 4). The molecule shows crystallographic mirror symmetry, while the previously reported structure exhibits two independent molecules per asymmetric unit. In the title compound, adjacent molecules 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 antiparallel arrangement of adjacent columns related by inversion centers and the two independent molecules are nearly parallel with a dihedral angle of 2.48 (6)°.
Highlights
Adjacent molecules are essentially parallel along the c axis and tend to be vertical along the b axis with dihedral angles of 72.02 (6)
In the reported polymorph, the entire crystal structure shows an antiparallel arrangement of adjacent columns related by inversion centers and the two independent molecules are nearly parallel with a dihedral angle of 2.48 (6)
For ligands based on 1,10-phenanthroline in coordination chemistry, see: Rabaca et al (2008); Stephenson et al (2008)
Summary
The title compound, C16H6N6, is a polymorph of the previously reported structure [Kozlov & Goldberg (2008). Unlike the previously reported monoclinic polymorph (space group P21/c, Z = 8), the title compound reveals orthorhombic symmetry The molecule shows crystallographic mirror symmetry, while the previously reported structure exhibits two independent molecules per asymmetric unit. Adjacent molecules are essentially parallel along the c axis and tend to be vertical along the b axis with dihedral angles of 72.02 (6). In the reported polymorph, the entire crystal structure shows an antiparallel arrangement of adjacent columns related by inversion centers and the two independent molecules are nearly parallel with a dihedral angle of 2.48 (6)
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