CAJ | 학술논문

合成了N-(1-甲基-4,5-二溴-2-三氯乙酰基)甘氨酸甲酯(C9H10Br2N2O3, Mr=354.01),X-射线单晶衍射确定其属于正交晶系,P2(1)2(1)2(1) 空间群, a=6.4237(18)(A), b=13.445(4)(A), c=14.054(4)(A), α=β=γ= 90°, V=1213.8(6)(A)3, Z=4, Dc=1.937 Mg·m3, μ=6.672 mm-1, F(000)=688.有2257个可观察点[I>2σ(I)],最终R1=0.0275, wR2=0.0682.X-射线晶体结构的分析表明该化合物含羰基、酰胺基、酯基与溴原子,并且通过N(2)H与O(2)分子间氢键连成一维链状结构.
합성료N-(1-갑기-4,5-이추-2-삼록을선기)감안산갑지(C9H10Br2N2O3, Mr=354.01),X-사선단정연사학정기속우정교정계,P2(1)2(1)2(1) 공간군, a=6.4237(18)(A), b=13.445(4)(A), c=14.054(4)(A), α=β=γ= 90°, V=1213.8(6)(A)3, Z=4, Dc=1.937 Mg·m3, μ=6.672 mm-1, F(000)=688.유2257개가관찰점[I>2σ(I)],최종R1=0.0275, wR2=0.0682.X-사선정체결구적분석표명해화합물함탄기、선알기、지기여추원자,병차통과N(2)H여O(2)분자간경건련성일유련상결구.
Methyl N-(4,5-dibromo-1-methyl-pyrrole-2-carbonyl)aminoacetate(C9H10Br2N2O3, Mr=354.01) has been synthesized and characterized by single-crystal X-ray diffraction analysis. The crystal belongs to orthorhombic, space group P2(1)2(1)2(1) with a=6.4237(18)(A), b=13.445(4)(A), c=14.054(4)(A), α=β=γ=90°, V=1213.8(6) (A)3, Z=4, Dc=1.937 Mg·m3, μ=6.672 mm-1, F(000)=688. The final R1 and wR2 are 0.0275 and 0.0682 for 2257 observed reflections with I>2σ(I), respectively. The X-ray crystal structure analysis revealed that the compound has carbonyl group, carboxyamide group, ester group and bromine atom, and the one dimension chain structure of the title compound is formed through the hydrogen bond between N(2)H and O(2).