ISSN:
1572-8854
Keywords:
Selenadiazole
;
Cyclodecadiene
;
conformation
Source:
Springer Online Journal Archives 1860-2000
Topics:
Geosciences
,
Physics
Notes:
Abstract 4,5,6,10,11,12-hexahydrocyclodeca[1,2-d∶6,7-d′]bis[1,2,3]selenadiazole, C10H12N4Se2, crystallizes in triclinic space group P $$\bar 1$$ witha=5.4625(3),b=7.2091(4),c=8.3122(6) Å, α=65.313(5), β=77.476(5), γ=77.442(5)°,V=287.35(4) Å3,Z=1. The structure was refined toR=0.031 andR w=0.030 for 2018 observed reflections. The molecule lies on an inversion center. The cyclodecadiene ring adopts an elongated chair conformation. The near-zero torsion angle of the elongated chair lies at the ring-fusion bonds, with a magnitude of 2.9(3)°. The five atoms of the selenadiazole ring exhibit maximum deviation 0.005(2) Å from planarity, with the adjacent carbon atoms lying respectively 0.020(2) and 0.059(2) Å to the same side of this plane. The torsion angles about the bonds comprising the sides of the elongated chair vary in magnitude from 61.0(2)° to 55.7(2)°. The cyclodecadiene C=C bond lengths are 1.368(2) Å. The selenium-carbon bond length is 1.850(2) Å. The Se−N distance is quite long, 1.888(2) Å.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01668246
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