Non-centrosymmetric crystals of new N-benzylidene­aniline derivatives as potential materials for non-linear optics

Souza, T.E.; Rosa, I.M.L.; Legendre, A.O.; Paschoal, D.; Maia, L.J.Q.; Dos Santos, H.F.; Martins, F.T.; Doriguetto, A.C.

doi:10.1107/S2052520615008859

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 7
Polar axis ( $[{\boldmu }]$ ) and CT vector ( $[{\boldbeta }]$ ) calculated at the cam-B3LYP/NLO-V// level. The polar axis is assumed as the direction of the dipole moment predicted for the four molecules in the unit cell. The angle between vectors is indicated.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 71| Part 4| July 2015| Pages 416-426

doi:10.1107/S2052520615008859

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