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The compound 1,1'-(1,3-phenylene)bis(1H-tetrazole) (1) has been grown while attempting the synthesis of a coordination polymer through metal salt mediated hydrothermal synthesis and their structures have been established by single crystal X-ray diffraction. Pillars involving each of the two independent molecules connected by π•••π contacts are pivotal in the crystal packing of (1). The computational study shows that it might lead molecules for the future drug against HIV. [ABSTRACT FROM AUTHOR]