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

Lookup NU author(s): Gary Nichol, Dr Ross Harrington, Emeritus Professor Bill CleggORCiD


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A 2nd monoclinic polymorph of the title compd., neocuproine dihydrate, C14H12N2.2H2O, is reported. Crystallog. data are given. Unlike the 1st polymorph [Baggio, Baggio and Mombru (1998). Acta Cryst. C54, 1900-1902], in which the phenanthroline ring system was constrained to lie in a crystallog. mirror plane, here there is no such imposed symmetry. Consequently, the mol. shows small deviations from planarity, the outer rings being twisted slightly in opposite directions from the plane of the central ring. The H-bonding motifs remain essentially the same as in the 1st polymorph, involving small rings of four H2O mols. and large rings contg. four H2O mols. and two neocuproine mols., but with no H-atom disorder for the H2O mols. in this case. There are also arom. pi-pi stacking interactions. [on SciFinder (R)]

Publication metadata

Author(s): Koeroglu 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: E61

Issue: 11

Pages: o3723-o3725

ISSN (electronic): 1600-5368

Publisher: Wiley-Blackwell Publishing, Inc.


DOI: 10.1107/S1600536805033179

Notes: CAN 144:264029 75-8 Crystallography and Liquid Crystals Department of Physics, Faculty of Arts and Sciences,University of Ondokuz Mayis,Samsun,Turk. Journal; Online Computer File 1600-5368 written in English. 34302-70-0 Role: PRP (Properties) (crystal structure of polymorph of)


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