结构化学
結構化學
결구화학
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY
2001年
2期
131-133
,共3页
屠树江%冯建青%王海%唐爱玲%冯骏材
屠樹江%馮建青%王海%唐愛玲%馮駿材
도수강%풍건청%왕해%당애령%풍준재
1,4-二氢吡啶,合成,微波,晶体结构
1,4-二氫吡啶,閤成,微波,晶體結構
1,4-이경필정,합성,미파,정체결구
标题化合物C19H23NO4由苯甲醛、尿素、乙酰乙酸乙酯在微波辐射下干反应而得。结构通过单晶X-射线衍射法测定,其晶体属单斜晶系,空间群P21/c,a=9.745(2),b=7.388(2),c=24.354(5)Å,β=92.60(3)°,V=1751.6(6)Å3,Z=4,Mr=329.38,Dc=1.249g/cm3,μ(MoKα)=0.087mm-1,F(000)=704。晶体结构用直接法解出,经全矩阵最小二乘法对原子参数进行修正,最终的偏离因子为R=0.0416,wR=0.1175。在晶体结构中,二氢吡啶环与苯环之间的二面角为92.14°。
標題化閤物C19H23NO4由苯甲醛、尿素、乙酰乙痠乙酯在微波輻射下榦反應而得。結構通過單晶X-射線衍射法測定,其晶體屬單斜晶繫,空間群P21/c,a=9.745(2),b=7.388(2),c=24.354(5)Å,β=92.60(3)°,V=1751.6(6)Å3,Z=4,Mr=329.38,Dc=1.249g/cm3,μ(MoKα)=0.087mm-1,F(000)=704。晶體結構用直接法解齣,經全矩陣最小二乘法對原子參數進行脩正,最終的偏離因子為R=0.0416,wR=0.1175。在晶體結構中,二氫吡啶環與苯環之間的二麵角為92.14°。
표제화합물C19H23NO4유분갑철、뇨소、을선을산을지재미파복사하간반응이득。결구통과단정X-사선연사법측정,기정체속단사정계,공간군P21/c,a=9.745(2),b=7.388(2),c=24.354(5)Å,β=92.60(3)°,V=1751.6(6)Å3,Z=4,Mr=329.38,Dc=1.249g/cm3,μ(MoKα)=0.087mm-1,F(000)=704。정체결구용직접법해출,경전구진최소이승법대원자삼수진행수정,최종적편리인자위R=0.0416,wR=0.1175。재정체결구중,이경필정배여분배지간적이면각위92.14°。
The title compound (C19H23NO4) has been synthesized by thereaction of benzaldehyde, ethyl acetoa~cetate and urea under microwave irradiation without solvent and its structure was determined by single crystal~ X-ray diffraction. The crystal is monoclinic, space group P21/c with a=9.745(2), b=7.388(2), c = 24.394(5) Å, β=92.60(3)°, V = 1751.6(6) Å3, Z = 4, Mr = 329.38, Dc = 1.249 Mg/m3, μ(MoKα)=0.087cm-1, F(000)=704. The structure was solved by direct methods and refined by full-matrix least squares method to the final R=0.0416, wR=0.1175, X-ray analysis reveals that the dihedral~ angle between plane 1(C(11)~C(15),N) and plane 2(C(21)~C(26)) is 92.14°.