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A second monoclinic polymorph of 2,9-dimethyl-1,10-phenanthroline dihydrate

Lookup NU author(s): Dr Ross Harrington, Emeritus Professor Bill Clegg


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A second monoclinic polymorph of the title compound, neocuproine dihydrate, C14H12N2.2H2O, is reported. Unlike the first polymorph [Baggio, Baggio & Mombrú (1998). Acta Cryst. C54, 1900-1902], in which the phenanthroline ring system was constrained to lie in a crystallographic mirror plane, here there is no such imposed symmetry. Consequently, the molecule shows small deviations from planarity, the outer rings being twisted slightly in opposite directions from the plane of the central ring. The hydrogen-bonding motifs remain essentially the same as in the first polymorph, involving small rings of four water molecules and large rings containing four water molecules and two neocuproine molecules, but with no H-atom disorder for the water molecules in this case. There are also aromatic π-π stacking interactions. © 2005 International Union of Crystallography Printed in Great Britain - all rights reserved.

Publication metadata

Author(s): Koroglu A, Bulut A, Ucar I, Nichol GS, Harrington RW, Clegg W

Publication type: Article

Publication status: Published

Journal: Acta Crystallographica Section E: Structure Reports Online

Year: 2005

Volume: 61

Issue: 11

Pages: o3723-o3725

Print publication date: 01/11/2005

ISSN (print): 1600-5368

ISSN (electronic):

Publisher: Wiley


DOI: 10.1107/S1600536805033179


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