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12th September 2016 @ 11:55

Haochuan's attempts at forming crystals of HM 3-2 were successful. The structure was detemined by Peter Turner of the X-ray Crystal Structure Facility in the School of Chemistry, University of Sydney, and forwarded to the group by email on Sept 1st 2016. Files appended.

HM 3-2

 

3-bromo-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine

BrC1=NN=C2C=NC=C(Cl)N21

InChI=1S/C5H2BrClN4/c6-5-10-9-4-2-8-1-3(7)11(4)5/h1-2H

UGKMQVWBWSZEBB-UHFFFAOYSA-N

Synthesis of 3-bromo-5-chloro-[1,2,4]triazolo[4,3-a]pyrazine (HM 3-2)

Crystallizing HM 3-2

Attached Files
HM3-2.cdxml
HM3-2.png
mht16pt1_s1534.docx
mht16pt1_s1534.cif
mht16pt1_s1534.png
Comments
Re: Crystal Structure Files for HM 3-2 (the bromo-chloro-TP core) by Mandrake Fernflower
12th September 2016 @ 16:51
Great stuff. Any plans to get a crystal structure for the naked TP core? (I.E 3,5 = H) - 2-chloropyrazine is quite easy to come by