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The Same at a First Glance : the Diffractogram of a New Polymorph of Anhydrous Sodium Luminolate Almost Perfectly Resembles the Diffraction Trace of an Already Known Polymorph

Title data

Martin, Thomas ; Greim, Dominik ; Milius, Wolfgang ; Niedermaier, Michael ; Ludescher, Beate ; von Wegerer, Jörg ; Brysch, Wolfgang ; Bärwinkel, Kilian ; Senker, Jürgen ; Breu, Josef:
The Same at a First Glance : the Diffractogram of a New Polymorph of Anhydrous Sodium Luminolate Almost Perfectly Resembles the Diffraction Trace of an Already Known Polymorph.
In: Zeitschrift für anorganische und allgemeine Chemie. Vol. 641 (February 2015) Issue 2 . - pp. 332-338.
ISSN 0044-2313
DOI: https://doi.org/10.1002/zaac.201400604

Abstract in another language

A so far unknown third polymorph (form III) of 5-amino-2,3-dihydro-1,4-phthalazinedione (luminolate) monosodium salt could be isolated phase pure and its structure was determined by powder X-ray diffraction and Rietveld refinement cell parameters: a = 8.0364(2)angstrom, b = 3.69765(5)angstrom, c = 26.4246(7)angstrom, beta = 96.346(2)degrees, V = 780.42(3)angstrom(3), space group P21/c]. The new structure shows many similarities to the structure of the known form II and the consequently slim differences in the diffraction traces could have easily been over-looked. Slurry experiments prove the new form to be more stable than form II. Both form II and form III crystallize in a lamellar structure. The layers are in turn built by shifted pi-stacked strands of hydrogen bonded luminolate dimers. The strands are canted by +/- 25 degrees in respect to the layers. While in form II the tilt direction alternates from strand to strand within a single layer, in form III all strands within a layer are tilted in the same direction and the orientation rather alternates between adjacent layers.

Further data

Item Type: Article in a journal
Refereed: Yes
Keywords: Crystal engineering; Polymorphism; X-ray diffraction; Structure elucidation; Thermodynamics
Institutions of the University: Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Chair Anorganic Chemistry III > Chair Anorganic Chemistry III - Univ.-Prof. Dr. Jürgen Senker
Faculties
Faculties > Faculty of Biology, Chemistry and Earth Sciences
Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry
Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Chair Anorganic Chemistry III
Result of work at the UBT: Yes
DDC Subjects: 500 Science > 540 Chemistry
Date Deposited: 26 Jul 2016 12:31
Last Modified: 26 Jul 2016 12:31
URI: https://eref.uni-bayreuth.de/id/eprint/33645