Crystal structure of aquazinc tetra(4-carboxyphenyl)porphyrin layers with very wide channels

What is it about?

aquazinc tetra(4-carboxyphenyl)porphyrin crystallises by generating hydrogen bond networks. Usually packing forces generate interweaving networks, however, in this case the networks are stacked on top of each other in an ordered form and generating big, wide, and solvent accessible channels.

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Why is it important?

We define rules for determining which of a molecule's conformational options will be adopted in its crystal structure. This is important in crystal engineering, to anticipate crystal packing and engineer crystals to exhibit targetted structures and properties. Two significant findings are that: a) molecules often do not adopt their lowest energy conformer in the solid state and b) we identify and quantify a preference for molecules to adopt extended conformations in the solid state.

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