天然产物研究与开发
天然產物研究與開髮
천연산물연구여개발
NATURAL PRODUCT RESEARCH AND DEVELOPMENT
2002年
4期
1-4
,共4页
棕色扁海绵%2-溴-6,7-二氢-1H,5H-吡咯并[2,3-C]氮杂-4,8-二酮晶体结构
棕色扁海綿%2-溴-6,7-二氫-1H,5H-吡咯併[2,3-C]氮雜-4,8-二酮晶體結構
종색편해면%2-추-6,7-이경-1H,5H-필각병[2,3-C]담잡-4,8-이동정체결구
sponge%Phakellia fusca%2-bromoaldisin%crystal structure
从中国南海海绵Phacellia fusca Schmidt的乙醇浸提物中,分离得到一吡咯并内酰胺:2-bro-moaldisin.通过X-射线单晶衍射法测定了该化合物的晶体结构.结果表明:晶体属正交晶系,Pbca空间群,a=12.984(7),b=7.429(4),c=18.580(10)A,V=179.2(16)A3,Z=8,Mr=243.07,Dx=1.802mg/cm3,F(000)=960,μ(Mo-Ka)=4.553 mm-1,λ=0.71073 A.在2.19＜θ＜27.27°范围内共收集了1978个独立衍射点,其中可观测衍射点1361个(|F| 2＞4σ|F|2).晶体结构用直接法解出,经全矩阵最小二乘法修正,最终偏离因子R=0.0535,Rw=0.0803.
從中國南海海綿Phacellia fusca Schmidt的乙醇浸提物中,分離得到一吡咯併內酰胺:2-bro-moaldisin.通過X-射線單晶衍射法測定瞭該化閤物的晶體結構.結果錶明:晶體屬正交晶繫,Pbca空間群,a=12.984(7),b=7.429(4),c=18.580(10)A,V=179.2(16)A3,Z=8,Mr=243.07,Dx=1.802mg/cm3,F(000)=960,μ(Mo-Ka)=4.553 mm-1,λ=0.71073 A.在2.19＜θ＜27.27°範圍內共收集瞭1978箇獨立衍射點,其中可觀測衍射點1361箇(|F| 2＞4σ|F|2).晶體結構用直接法解齣,經全矩陣最小二乘法脩正,最終偏離因子R=0.0535,Rw=0.0803.
종중국남해해면Phacellia fusca Schmidt적을순침제물중,분리득도일필각병내선알:2-bro-moaldisin.통과X-사선단정연사법측정료해화합물적정체결구.결과표명:정체속정교정계,Pbca공간군,a=12.984(7),b=7.429(4),c=18.580(10)A,V=179.2(16)A3,Z=8,Mr=243.07,Dx=1.802mg/cm3,F(000)=960,μ(Mo-Ka)=4.553 mm-1,λ=0.71073 A.재2.19＜θ＜27.27°범위내공수집료1978개독립연사점,기중가관측연사점1361개(|F| 2＞4σ|F|2).정체결구용직접법해출,경전구진최소이승법수정,최종편리인자R=0.0535,Rw=0.0803.
The title compound(CsH7BrN2O2)has been isolated from the marinesponge Phakellia fusca Schimidt collected around the South China Sea, andformed colorless rhombus crystal by slow evaporation from methanol at roomtemperature. Its structure was established by single-crystal X-ray diffraction, andfurther characterized by NMR spectroscopy. The crystal belongs to orthorhom-bic system,space group Pbca with a = 12. 984(7), b = 7. 429(4), c = 18. 580(10) A, V = 1792.2( 16)A3, Z = 8, Mr = 243.07, Dx = 1. 802 mg/cm3, F (000)=960,μ (Mo-Ka) = 4. 553 mm-1, λ = 0. 71073 A. The structure was refinedto R = 0. 0535 and Rw = 0. 0803 for 1361 observed reflections(|F|2 ＞ 4σ|F|2).
