X-ray and neutron diffraction studies of the non-linear optical compounds MBANP and MBADNP at 20 K: charge-density and hydrogen-bonding analyses

Cole, J.M.; Goeta, A.E.; Howard, J.A.K.; McIntyre, G.J.

doi:10.1107/S0108768102006109

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

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Figure 8
(a) Model electron deformation density and (b) Laplacian maps showing the intramolecular hydrogen bond N(1)—H(1N)⋯O(1) in MBADNP, with contour levels of 0.1 e Å⁻³ and 0.2 e Å⁻⁵, respectively (blue lines are positive, red lines are negative, black lines are zero).

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 58| Part 4| July 2002| Pages 690-700

doi:10.1107/S0108768102006109

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