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A new coordination polymer, Zn‐(OC‐AMAM‐CO) CP, has been synthesized from Zn (II) as ionic node and 2,2′‐((1,2‐phenylenebis [azanediyl])bis (carbonyl))dibenzoic acid, (OC‐AMAM‐CO), as a new linker, where (OC‐AMAM‐CO) has been synthesized as an amide product through condensation reaction of phthalic acid and o‐phenylenediamine. The amide product (OC‐AMAM‐CO) and Zn‐(OC‐AMAM‐CO) CP were characterized via FTIR and PXRD analyses, and Zn‐(OC‐AMAM‐CO) CP was further characterized via SEM/EDX and XPS analyses. Moreover, DFT study was performed to shed light on the both structures of (OC‐AMAM‐CO) and Zn‐(OC‐AMAM‐CO). PXRD analysis revealed the successful syntheses of the new linker (OC‐AMAM‐CO) and Zn‐(OC‐AMAM‐CO) CP where the new CP is crystalline. DFT study revealed that the 3D topological structure assembled through coordination, π–π stacking, and hydrogen bonding. Zn‐(OC‐AMAM‐CO) CP was applied as an adsorbent for the removal of Cu (II) from water as it has abundant chelating groups that serve as adsorptive coordinating sites. Isotherm study revealed the obedience of Cu (II)/Zn‐(OC‐AMAM‐CO) CP adsorption system to Langmuir modeling with adsorption capacity of about 55 mg/g. A kinetic study showed that the rate of adsorption was a pseudo‐first‐order type. Further, adsorption process was found to be strongly diffusion dependent. [ABSTRACT FROM AUTHOR]