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Issue 10, 2015
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Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine

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Abstract

2,4,6-Tris(2-pyrimidyl)-1,3,5-triazine (TPymT) has been synthesized using two approaches: via trimerization of 2-cyanopyrimidine at 160 °C and by the reaction of 2-cyanopyrimidine with pyrimidine-2-carboximidamide. It was found that the two different synthetic pathways to TPymT yielded either a single polymorph or a mixture of two polymorphs; both of which were studied for the first time by X-ray powder diffraction (XRPD) and synchrotron X-ray powder diffraction (SXRPD). The crystal structure of the polymorph α-TPymT was determined by single crystal X-ray diffraction (SCXRD). Crystal structures of 2-cyanopyrimidine and pyrimidine-2-carboximidamide were also elucidated by SXRPD.

Graphical abstract: Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine

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Publication details

The article was received on 15 Jan 2015, accepted on 04 Feb 2015 and first published on 04 Feb 2015


Article type: Paper
DOI: 10.1039/C5CE00097A
Citation: CrystEngComm, 2015,17, 2190-2195
  • Open access: Creative Commons BY-NC license
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    Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine

    D. A. Safin, N. A. Tumanov, A. A. Leitch, J. L. Brusso, Y. Filinchuk and M. Murugesu, CrystEngComm, 2015, 17, 2190
    DOI: 10.1039/C5CE00097A

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