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1-Benzyl-3,5-bis-(4-chloro-benzyl-idene)piperidin-4-one

1-Benzyl-3,5-bis-(4-chloro-benzyl-idene)piperidin-4-one

Volodymyr V Nesterov, Sergey S Sarkisov, Vladimir Shulaev, Vladimir N Nesterov

Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1505-6.

PMID: 21754872

Abstract:

The title compound, C(26)H(21)Cl(2)NO, crystallizes with two symmetry-independent mol-ecules (A and B) in the asymmetric unit. In both mol-ecules, the central heterocyclic ring adopts a sofa conformation. The dihedral angles between the planar part of this central heterocyclic ring [maximum deviations of 0.011 (1) and 0.036 (1) Å in mol-ecules A and B, respectively] and the two almost planar [maximum deviations of 0.020 (1) and 0.008 (1) Å in A and 0.007 (1) and 0.011 (1) in B] side-chain fragments that include the aromatic ring and bridging atoms are 20.1 (1) and 31.2 (1)° in mol-ecule A, and 26.4 (1) and 19.6 (1)° in mol-ecule B. The dihedral angles between the planar part of the heterocyclic ring and the benzyl substituent are 79.7 (1) and 53.2 (1)° in mol-ecules A and B, respectively. In the crystal, weak inter-molecular C-H⋯O hydrogen bonds link the two independent mol-ecules into dimers.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP3855821	1,4-Dichlorobenzene-d4		3855-82-1	Price

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