π-Hole bonding in a new co-crystal hydrate of gallic acid and pyrazine: static and dynamic charge density analysis

Pal, R.; Jelsch, C.; Momma, K.; Grabowsky, S.

doi:10.1107/S2052520622001457

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

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Figure 5
The three dimers investigated in this paper: (a) parallel arrangement of GA1 (below) and GA2 (above) in subsequent layers (aromatic stacking plus π-hole interaction), (b) antiparallel arrangement of two GA2 molecules in subsequent layers (aromatic stacking, negligible π-hole interaction), (c) a third arrangement of two molecules, GA1 (below) and GA2 (above) (no aromatic stacking but π-hole interaction).

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 78| Part 2| April 2022| Pages 231-246

https://doi.org/10.1107/S2052520622001457

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