Crystal and molecular structure of 9-methyl-9-phenyl-9,10-dihydro-9-sila-3-azaanthrone

The crystal and molecular structure of 9-methyl-9-phenyl-9,10-dihydro-9-sila-3-azaanthrone has been determined from three-dimensional X-ray diffraction data. The title compound crystals are monoclinic, space group P21/b, a = 12.818(2), b = 16.508(2), c = 7.694(1) Å,γ = 105°, 34′(2), Z = 4 and Dcal = 1.278 g cm-3. The structure was determined by direct methods and refined by full-matrix least-squares calculations in the block-diagonal anisotropic approximation for non-hydrogen atoms to R = 0.043 for 2190 independent reflections, registered at room temperature. This is the first crystal structure determination of a Si-dihydroanthracene derivative with two heterocycles and a planar carbon atom in the C10-position. The tricyclic fragment takes up a planar configuration, the silicon atom having a tetrahedral surrounding, with an endocyclic angle of 103.7(1)° and average bond length SiC, 1.862(1) Å. The CO, 1.220(2) Å, bond length in the carbonylic group exactly corresponds with the double bond length. Average distance NC is 1.335(3) Å, angle CNC, 116.5(2)°. © 1980.

Authors
Sokolova Y.A.1 , D'Yachenko O.A.1 , Atovmyan L.O.1 , Prostakov N.S. 2 , Varlamov A.V. 2 , Saxena N. 2
Editors
-
Publisher
-
Number of issue
2
Language
English
Pages
149-155
Status
Published
Department
-
Number
-
Volume
202
Year
1980
Organizations
  • 1 Institute of Chemical Physics Akad. Nauk USSR, Chernogolovka, 142432, Russian Federation
  • 2 Department of Chemistry, Patrice Lumumba People's Friendship University, Moscow, 117302, Russian Federation
Keywords
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Date of creation
19.10.2018
Date of change
19.10.2018
Short link
https://repository.rudn.ru/en/records/article/record/1517/