TY - JOUR
T1 - Facile fabrication of a Cu(II) 1D zig–zag coordination polymer demonstrating affinity toward DNA molecules
AU - Naaz, Sanobar
AU - Chatterjee, Taposi
AU - Shaikh, Kalamoddin
AU - Dutta, Basudeb
AU - Raza Siddiqui, Masoom
AU - Wabaidur, Saikh M.
AU - Maidul Islam, Md
AU - Malik Puthan Peedikakkal, Abdul
AU - Hedayetullah Mir, Mohammad
AU - Mafiz Alam, Seikh
N1 - Publisher Copyright:
© 2023 Elsevier Ltd
PY - 2023/12/1
Y1 - 2023/12/1
N2 - A Cu(II) compound [Cu2(5-nip)2(3-brpy)2·(H2O)2·(DMF)2] (1) was synthesized using 5-nitroisophthalic acid (H25-nip) and 3-bromopyridine (3-brpy) employing slow diffusion technique. Visibly distinct blue-colored crystals of compound 1 were obtained. Single crystal X-ray analysis discloses that compound 1 crystallizes in the triclinic system, having space group P1¯ with cell dimensions a = 12.4491(14) Å, b = 13.6238(15) Å, c = 14.3315(15) Å; α = 68.027(3)°, β = 69.914(3)°, γ = 87.173(3)°and V = 2108.3(4)Å3. The compound contains core metal atom Cu(II) that is hexa-coordinated to 5-nip, 3-brpy, dimethylformamide (DMF), and aqua molecule resulting in one- dimensional coordination polymer (1D CP), propagated via strands of 5-nip bridges. The pyridine-based ligand and aqua ligands are decorated as arms on both sides of Cu(II) centers. The prominence of hydrogen bonding interactions in compound 1 was found which leads to the formation of 1D double-chain strand. The combination of 5-nip and 3-brpy ligands is responsible for the strong affinity towards DNA molecules for compound 1. Docking studies have been employed to examine DNA binding affinity. Hirshfeld surface analysis was carried out in order to check out the nature of intermolecular interactions and packing modes of compound 1 in the crystalline state.
AB - A Cu(II) compound [Cu2(5-nip)2(3-brpy)2·(H2O)2·(DMF)2] (1) was synthesized using 5-nitroisophthalic acid (H25-nip) and 3-bromopyridine (3-brpy) employing slow diffusion technique. Visibly distinct blue-colored crystals of compound 1 were obtained. Single crystal X-ray analysis discloses that compound 1 crystallizes in the triclinic system, having space group P1¯ with cell dimensions a = 12.4491(14) Å, b = 13.6238(15) Å, c = 14.3315(15) Å; α = 68.027(3)°, β = 69.914(3)°, γ = 87.173(3)°and V = 2108.3(4)Å3. The compound contains core metal atom Cu(II) that is hexa-coordinated to 5-nip, 3-brpy, dimethylformamide (DMF), and aqua molecule resulting in one- dimensional coordination polymer (1D CP), propagated via strands of 5-nip bridges. The pyridine-based ligand and aqua ligands are decorated as arms on both sides of Cu(II) centers. The prominence of hydrogen bonding interactions in compound 1 was found which leads to the formation of 1D double-chain strand. The combination of 5-nip and 3-brpy ligands is responsible for the strong affinity towards DNA molecules for compound 1. Docking studies have been employed to examine DNA binding affinity. Hirshfeld surface analysis was carried out in order to check out the nature of intermolecular interactions and packing modes of compound 1 in the crystalline state.
KW - Coordination polymer
KW - Copper(II) compound
KW - Crystal structure
KW - DNA docking
KW - Hirsheld surface analysis
UR - http://www.scopus.com/inward/record.url?scp=85173641745&partnerID=8YFLogxK
U2 - 10.1016/j.poly.2023.116685
DO - 10.1016/j.poly.2023.116685
M3 - Article
AN - SCOPUS:85173641745
SN - 0277-5387
VL - 246
JO - Polyhedron
JF - Polyhedron
M1 - 116685
ER -