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(2E,6E)-2,6-Bis(4-methyl-benzyl-idene)cyclo-hex-3-en-1-one.


ABSTRACT: The title compound, C(22)H(20)O, shows an approximately planar cyclo-hexenone ring [maximum deviation = 0.069?(4)?Å], with a disordered position of the C=C bond [ratio = 0.71?(2)/0.29?(2)]. The benzene rings of the 4-methyl-benzyl-idene units, attached in the 2- and 6-positions to the cyclo-hexenone ring, are rotated in the same direction by 28.6?(4) and 22.4?(4)°, with respect to the mean plane of the cyclo-hexenone ring [fraction 0.71?(2); maximum deviation = 0.06?(3)?Å]. In the crystal, mol-ecules are packed in the manner of a distorted hexa-gonal rod packing with their long axes all aligned along [201]. A number of C-H?? inter-actions stablize the crystal structure.

SUBMITTER: Abaee MS 

PROVIDER: S-EPMC3275037 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature

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(2E,6E)-2,6-Bis(4-methyl-benzyl-idene)cyclo-hex-3-en-1-one.

Abaee M Saeed MS   Massa Werner W   Mojtahedi Mohammad M MM   Mesbah A Wahid AW  

Acta crystallographica. Section E, Structure reports online 20120111 Pt 2


The title compound, C(22)H(20)O, shows an approximately planar cyclo-hexenone ring [maximum deviation = 0.069 (4) Å], with a disordered position of the C=C bond [ratio = 0.71 (2)/0.29 (2)]. The benzene rings of the 4-methyl-benzyl-idene units, attached in the 2- and 6-positions to the cyclo-hexenone ring, are rotated in the same direction by 28.6 (4) and 22.4 (4)°, with respect to the mean plane of the cyclo-hexenone ring [fraction 0.71 (2); maximum deviation = 0.06 (3) Å]. In the crystal, mol-e  ...[more]

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