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Crystal structure and Hirshfeld surface analysis of 3,3',3''-[(1,3,5-triazine-2,4,6-tri-yl)tris-(-oxy)]tris-(5,5-di-methyl-cyclo-hex-2-en-1-one).

ABSTRACT: The three cyclo-hexenone rings of the title compound, C₂₇H₃₃N₃O₆, adopt slightly distorted envelope conformations, with the C atom bearing two methyl groups as the flap atom in each case. These cyclo-hexenone mean planes form dihedral angles of 87.41?(11), 70.73?(11) and 70.47?(11)° with the 1,3,5-triazine ring, while the dihedral angle between the cyclo-hexenone mean planes are 57.52?(12), 23.75?(12) and 53.21?(12)°. In the crystal, mol-ecules are linked via C-H?O hydrogen bonds, forming a three-dimensional network.

SUBMITTER: Atioglu Z

PROVIDER: S-EPMC6038646 | biostudies-literature | 2018 Jul

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of 3,3',3''-[(1,3,5-triazine-2,4,6-tri-yl)tris-(-oxy)]tris-(5,5-di-methyl-cyclo-hex-2-en-1-one).

Atioğlu Zeliha Z Akkurt Mehmet M Toze Flavien A A FAA Mammadova Gunay Z GZ Panahova Humay M HM

Acta crystallographica. Section E, Crystallographic communications 20180628 Pt 7

The three cyclo-hexenone rings of the title compound, C27H33N3O6, adopt slightly distorted envelope conformations, with the C atom bearing two methyl groups as the flap atom in each case. These cyclo-hexenone mean planes form dihedral angles of 87.41 (11), 70.73 (11) and 70.47 (11)° with the 1,3,5-triazine ring, while the dihedral angle between the cyclo-hexenone mean planes are 57.52 (12), 23.75 (12) and 53.21 (12)°. In the crystal, mol-ecules are lin ...[more]

PMID: 30002911

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