Ünver, H.Kabak, M.Zengin, D.M.Durlu, T.N.2020-06-252020-06-252001closedAccess0932-0776https://hdl.handle.net/20.500.12587/2898Unver, Huseyin/0000-0003-3968-43851-[N-(4-Iodophenyl)]aminomethylidene-2(1H)naphthalenone (1) (C17H12NOI) has been studied by X-ray analysis, IR, H-1 NMR, UV and AM1 semi-empirical quantum mechanical methods. It crystallises in the monoclinic space group P2(1)/n with a=4.844(3), b=21.428(2), C=13.726(2) Angstrom, beta =93.07(2)degrees (R1=0.032 for 4132 reflections [I>2 sigma (I)]). The title compound is not planar and an intramolecular hydrogen bond connects O1 and N1 [2.530(4) Angstrom]. Complementary IR, H-1 NMR and UV measurements in the solution and solid states were carried out. Tautomerism and conformations of the title compound were also investigated by AM1 semi-empirical quantum mechanical calculations and the results are compared with the X-ray data.eninfo:eu-repo/semantics/closedAccessphotochromismthermochromismketo-enol tautomerismArticle5610100310082-s2.0-0039251814Q3WOS:000172323300007Q3