Premium
Crystal design by CH…N and N…N interactions: high‐pressure structures of high‐nitrogen‐content azido‐triazolopyridazines compounds
Author(s) -
Olejniczak Anna,
Katrusiak Anna,
Podsiadło Marcin,
Katrusiak Andrzej
Publication year - 2020
Publication title -
acta crystallographica section b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.604
H-Index - 33
ISSN - 2052-5206
DOI - 10.1107/s2052520620014493
Subject(s) - pyridazine , clathrate hydrate , nitrogen , crystallography , chemistry , yield (engineering) , azide , high pressure , crystal structure , derivative (finance) , intermolecular force , crystallization , x ray crystallography , diamond anvil cell , hydrate , diffraction , materials science , molecule , stereochemistry , organic chemistry , physics , engineering physics , optics , economics , financial economics , engineering , metallurgy
High‐nitrogen‐content compounds 6‐azido‐1,2,4‐triazolo[4,3‐ b ]pyridazine (C 5 H 3 N 7 ) and its 3‐methyl derivative (C 6 H 5 N 7 ) have been in situ crystallized in a diamond‐anvil cell and their structures determined by single‐crystal X‐ray diffraction. Under ambient and high‐pressure conditions the crystallizations yield the same phases: the C 5 H 3 N 7 anhydrate and C 6 H 5 N 7 hydrated clathrate. In both the structures there are clearly distinguished regions of short CH…N and N…N intermolecular contacts, the latter involving exclusively the azide groups. High pressure initially increases the contents of water in the channel pores of the clathrate.