Crystal structure of 1,1'-methylenedipyridinium dibromide monohydrate, (C11H12N2)Br2 ) H2O

Zhi-Fang Zhang
2011 Zeitschrift für Kristallographie - New Crystal Structures  
C 11 H 14 Br 2 N 2 O, orthorhombic, Fdd2(no. 43), a =19.364(3 Source of material Amixture of pyridine (0.1 mol) and dibromomethane (0.05 mol) was reacted under nitrogen atmosphere with stirring at 353 Kfor 48 h. The resulting clear solution was evaporated under vacuum. Colourless crystals suitable forX-ray analysis were obtained by slow evaporationofawater solution over aperiodofthree weeks (yield 73 %).E lemental analysis -f ound: C, 37.75 %; H, 4.04 %; N, 8.02 %. calculated for C 11 H 14 Br 2
more » ... for C 11 H 14 Br 2 N 2 O: C, 37.74 %; H, 4.03 %; N, 8.00 %. Experimental details All HatomsonCwere placed at idealized positions and refined as riding on their parent atomswith d( One of the hydrogen atomsattached to the oxygen atom O1 of the water molecule (H1B)was located at general position with S.O.F of 0.5, i.e. half-occupied. TheFlack parameter is 0.00(2).
doi:10.1524/ncrs.2011.0246 fatcat:usnc5dp7rfakfmweg6vhnvxiii