Co-crystallisation of benzoic acid with sodium benzoate : the significance of stoichiometry

Title data

Butterhof, Christian ; Milius, Wolfgang ; Breu, Josef:
Co-crystallisation of benzoic acid with sodium benzoate : the significance of stoichiometry.
In: CrystEngComm. Vol. 14 (2012) Issue 11 . - pp. 3945-3950.
ISSN 1466-8033
DOI: https://doi.org/10.1039/C2CE25185J

Official URL:

Abstract in another language

Currently the synthesis of co-crystals is receiving considerable attention. We studied co-crystallisation of benzoic acid with sodium benzoate in different ratios and with different crystallisation techniques. A crystalline co-crystal, composed of two equivalents of benzoic acid and one equivalent of sodium benzoate (2 HBz·1 NaBz) could be identified and structurally characterised. By concomitant coordination of benzoate and benzoic acid the coordination needs of the cation could be satisfied. However, even with a 2[thin space (1/6-em)]:[thin space (1/6-em)]1 ratio, an octahedral environment could only be realised by sharing an edge in a dimer. The dimers are connected to one-dimensional tapes which in turn are packed in a distorted hexagonal arrangement. Only with a ratio of two neutral benzoic acid ligands and one benzoate can the coordination requirements of the sodium cation and charge neutrality be assured at the same time.

Further data

Item Type:	Article in a journal
Refereed:	Yes
Institutions of the University:	Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Chair Inorganic Chemistry I > Chair Inorganic Chemistry I - Univ.-Prof. Dr. Josef Breu Faculties Faculties > Faculty of Biology, Chemistry and Earth Sciences Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Chair Inorganic Chemistry I
Result of work at the UBT:	Yes
DDC Subjects:	500 Science > 540 Chemistry
Date Deposited:	21 Mar 2018 12:57
Last Modified:	27 Sep 2023 08:51
URI:	https://eref.uni-bayreuth.de/id/eprint/9496