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

Damir A. Safin, Nikolay A. Tumanov, Alicea A. Leitch, Jaclyn L. Brusso, Yaroslav Filinchuk, Muralee Murugesu

Résultats de recherche: Contribution à un journal/une revueArticle

Résumé

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.
langue originaleAnglais
Pages (de - à)2190-2195
Nombre de pages6
journalCrystEngComm
Volume17
Numéro de publication10
Les DOIs
étatPublié - 2015
Modification externeOui

Empreinte digitale

Triazines
Polymorphism
X ray powder diffraction
Crystal structure
Synchrotrons
crystal structure
pyrimidines
diffraction
synchrotrons
x rays
Single crystals
X ray diffraction
single crystals
pyrimidine

Citer ceci

Safin, D. A., Tumanov, N. A., Leitch, A. A., Brusso, J. L., Filinchuk, Y., & Murugesu, M. (2015). Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine. CrystEngComm, 17(10), 2190-2195. https://doi.org/10.1039/C5CE00097A
Safin, Damir A. ; Tumanov, Nikolay A. ; Leitch, Alicea A. ; Brusso, Jaclyn L. ; Filinchuk, Yaroslav ; Murugesu, Muralee. / Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine. Dans: CrystEngComm. 2015 ; Vol 17, Numéro 10. p. 2190-2195.
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title = "Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine",
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.",
author = "Safin, {Damir A.} and Tumanov, {Nikolay A.} and Leitch, {Alicea A.} and Brusso, {Jaclyn L.} and Yaroslav Filinchuk and Muralee Murugesu",
year = "2015",
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language = "English",
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Safin, DA, Tumanov, NA, Leitch, AA, Brusso, JL, Filinchuk, Y & Murugesu, M 2015, 'Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine', CrystEngComm, VOL. 17, Numéro 10, p. 2190-2195. https://doi.org/10.1039/C5CE00097A

Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine. / Safin, Damir A.; Tumanov, Nikolay A.; Leitch, Alicea A.; Brusso, Jaclyn L.; Filinchuk, Yaroslav; Murugesu, Muralee.

Dans: CrystEngComm, Vol 17, Numéro 10, 2015, p. 2190-2195.

Résultats de recherche: Contribution à un journal/une revueArticle

TY - JOUR

T1 - Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine

AU - Safin, Damir A.

AU - Tumanov, Nikolay A.

AU - Leitch, Alicea A.

AU - Brusso, Jaclyn L.

AU - Filinchuk, Yaroslav

AU - Murugesu, Muralee

PY - 2015

Y1 - 2015

N2 - 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.

AB - 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.

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