摘要
通过X-ray单晶衍射和IR对DL-天冬氨酸的结构进行表征,该有机化合物属单斜晶系,P21空间群,晶胞参数:a=5.1353(8),b=6.9713(11),c=7.6073(11),α=90°,β=99.812(3)°,γ=90°,分子式:C4H7NO4,Mr=133.11,V=268.36(7)3,Z=2,Dc=1.647Mg/m3,R1=0.0468,wR2=0.0683[I>2σ(I)]。在晶体结构中,有机分子通过分子间氢键N-H…O和O-H…O组装成了三维网状的超分子结构。
The structure of DL-aspartic acid was characterized by single crystal X-ray diffraction IR spectrum. It crystallized in monoclinic system, with α=5.1353（8）A, b=6.9713（1 1）A, c=7.6073（11） A., a=90°, β=99.812（3）°, γ=-90°, molecular formula： C4H7NO4, Mr=133.11, V=268.36（7）A3, Z=2, Dc=1.647 Mg/m^3, R1=0.0468, wR2 0.0683[1〉2σ（I）]. In the crystal structure, the organic molecules were assembled into a three dimensional supramolecular network via intermolecular N-H……O and O-H……O hydrogen bonds interactions.
出处
《广东化工》
CAS
2009年第8期27-28,68,共3页
Guangdong Chemical Industry
基金
广西科技攻关项目(桂科攻0895004-4)
广西壮族自治区自然科学基金资助重点项目(桂科自0832018z)
