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Configuration flexibility of 2,5-bis(3-pyridyl)-1,3,4-oxadiazole in controllable cocrystallization with 3-hydroxybenzoic acid

✍ Scribed by Miao Du; Zhi-Hui Zhang; Xiu-Guang Wang; Cheng-Peng Li

Publisher
Elsevier Science
Year
2006
Tongue
English
Weight
348 KB
Volume
791
Category
Article
ISSN
0022-2860

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✦ Synopsis

Cocrystallization of 3-hydroxybenzoic acid (H 2 mba) with a versatile angular dipyridyl building block 2,5-bis(3-pyridyl)-1,3,4-oxadiazole (3-bpo) under the ambient or hydrothermal condition affords, two binary molecular cocrystals [(H 2 mba)$(3-bpo)] (2) and [(H 2 mba)$(3-bpo)]$3.5H 2 O (3). X-ray single-crystal diffraction of 3-bpo (1) suggests that 1D infinite tape is formed via weak C-H/N interactions. With regard to pseudopolymorphs 2 and 3, similar 1D acid-base chains are generated through hard O-H/N hydrogen bonds, which however, adopt distinct 3D lattice packing. Significantly, three typical conformations of 3-bpo are observed in the structures of 1-3 to meet the requirements of the formation of different hydrogen-bonding patterns.

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