The Crystal-Structure of 4,6,8-Trimethylazulene
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AbstractCrystals of 4,6,8-trimethylazulene are monoclinic, with a = 8.150(1), 6 = 11.999(3), c = 10.579(3) Ǻ, β = 100.84(2)°, space group P21/c, and Z=4. The ordered structure has been refined to RF = 0.074 for 1037 observed MoKα data. The carbon skeleton attains planarity and the transannular C(9) – C(l0) bond length is 1.488(5) Ǻ. The interior bond angles at the substituted carbon positions are significantly smaller than corresponding angles in azulene, and steric repulsion causes the exocyclic bonds at C(4) and C(8) to lean away from the five-membered ring.
All Author(s) ListWONG HNC, SO KP, MAK TCW
Journal nameZeitschrift für Kristallographie
Volume Number169
Issue Number1-4
Pages117 - 125
LanguagesEnglish-United States

Last updated on 2020-28-05 at 00:30