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Synthesis, crystal structure, Hirshfeld surface analysis and DNA binding properties of interactions with lattice pyrazinamide and its zinc(II) coordination polymer

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Abstract

The compound {[Zn(μ1,5-dicyanamide)2(pyrazinamide)2](pyrazinamide)2}n has been synthesized and further characterized by elemental analysis, single-crystal X-ray diffraction, and thermogravimetric analysis. Structural analysis revealed that the dicyanamide anion acted as bridging ligand in a μ-1,5 mode, resulting a polymeric 1-D chain structure. The pairwise N3-H3B···N1 and N9-H9B···N7, N3-H3A···O2 and N9-H9A···O1, N3-H3B···N7 and N9-H9B···N1 multiple hydrogen bonding interactions, impart enhanced stability to supramolecular structures. Hirshfeld surfaces and fingerprint plots were applied to arrive at the same conclusion, which is stabilised mainly by H–H, N–H, O–H interactions. DNA binding studies showed that the compound had interacted with DNA.

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Acknowledgments

We are very grateful for the financial support from the National Natural Science Foundation of China (No. 21241009, No. 21371031).

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Correspondence to Bai-Wang Sun.

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Liu, QL., Yang, LJ., Luo, YH. et al. Synthesis, crystal structure, Hirshfeld surface analysis and DNA binding properties of interactions with lattice pyrazinamide and its zinc(II) coordination polymer. Res Chem Intermed 42, 6947–6957 (2016). https://doi.org/10.1007/s11164-016-2506-y

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  • DOI: https://doi.org/10.1007/s11164-016-2506-y

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