1.
Acta Crystallogr Sect E Struct Rep Online
; 64(Pt 10): o1957, 2008 Sep 17.
Artigo
em Inglês
| MEDLINE
| ID: mdl-21201160
RESUMO
In the mol-ecule of the title compound, C(7)H(8)NO(2) (+)·Cl(-)·H(2)O, an intra-molecular N-Hâ¯O hydrogen bond results in the formation of a non-planar six-membered ring adopting a flattened boat conformation. In the crystal structure, inter-molecular O-Hâ¯O and N-Hâ¯Cl hydrogen bonds link the mol-ecules. There is a C=Oâ¯π contact between the carbonyl unit and the centroid of the benzene ring. There is a C=Oâ¯π contact [Câ¯Cg = 3.5802â (18), C-Oâ¯Cg = 89â (1)°] between the carbonyl unit and the centroid of the benzene ring.