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The crystal structure of 10‐acetonylphenoxatellurine nitrate, C 15 H 13 NO 5 Te
Author(s) -
Smith M. R.,
Mangion M. M.,
Meyers E. A.
Publication year - 1973
Publication title -
journal of heterocyclic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.321
H-Index - 59
eISSN - 1943-5193
pISSN - 0022-152X
DOI - 10.1002/jhet.5570100420
Subject(s) - triclinic crystal system , chemistry , ring (chemistry) , crystallography , diffractometer , carbon fibers , crystal structure , molecule , unit (ring theory) , trigonal bipyramidal molecular geometry , group (periodic table) , crystal (programming language) , pentagonal bipyramidal molecular geometry , bipyramid , stereochemistry , materials science , organic chemistry , composite number , computer science , programming language , composite material , mathematics education , mathematics
The crystal structure of C 15 H 13 NO 5 Te was determined from X‐ray diffractometer data. The unit cell is triclinic (BĪ): a = 17.118(5), b = 7.402(2), c = 12.225(2) Å, α = 87.96(1), β = 93.31 (1), γ = 92.13(2)° at 22°C, Z = 4/cell, and the conventional R = 0.025 for 2497 independent reflections. The molecule is folded along the Te‐ring oxygen axis (135° ). The average Te‐ring carbon distance is 2.101 Å, the Te‐acetonyl carbon distance is 2.129 Å and the average C‐ring oxygen distance is 1.388 Å. The acetonyl group and phenyl rings have normal distances and angles, and the nitrate group is nearly regular, with Te…ONO 2 = 2.775 Å. The coordination around Te is that of an extremely distorted trigonal bipyramid, with apical positions occupied by one ring carbon and the ONO 2 group (167.4°), and two axial positions occupied by the acetonyl carbon and the other ring carbon (94.6°). Coordinates of all hydrogen atoms were determined.