Crystal structure and tautomerism of 1-[N-(4-iodophenyl)]aminomethylidene-2(1H)naphthalenone
[ X ]
Tarih
2001
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Verlag Z Naturforsch
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
1-[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.
Açıklama
Unver, Huseyin/0000-0003-3968-4385
Anahtar Kelimeler
photochromism, thermochromism, keto-enol tautomerism
Kaynak
Zeitschrift Fur Naturforschung Section B-A Journal Of Chemical Sciences
WoS Q Değeri
Q3
Scopus Q Değeri
Q3
Cilt
56
Sayı
10
Künye
closedAccess
