Abstract
The cocrystallization of isophthalic acid (H2ip) with 3,6-bis(2-pyrazinyl)-1,4-dihydro-1,2,4,5-tetrazine (H2bpztz) yields the title binary molecular cocrystal, C8H6O4·C10H8N8 or [(H2ip)·(H2bpztz)]. In the isophthalic acid molecule, a crystallographic twofold rotation axis passes between the carboxyl substituents. In the tricyclic molecule, a crystallographic twofold rotation axis is perpendicular to the central ring. Intermolecular O—H⋯N and C—H⋯O interactions between the carboxyl and pyrazinyl groups of the two components produces a one-dimensional zigzag tape. Further N—H⋯N hydrogen bonds between adjacent H2bpztz molecules generate a three-dimensional supramolecular network. The resulting diamond networks are of fivefold parallel interpenetration and are consolidated by π–π stacking interactions (3.70 Å) between the aromatic rings.
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