N—甲基异靛蓝在不同溶剂中的^1H—NMR研究

用选择照射方法研究了N-甲基异靛蓝(isoindigatin)在(CD_3)_2CO、CDCl_3、DMSO-d_6溶剂中及重水交换后的~1H NMR谱。得到了化学环境极为类似的两芳环质子在不同溶剂中的NMR谱线归属和偶合常数。     

密环菌甲素晶体结构研究

密环菌甲素(C₂₄H₃₀O₆)属正交晶系,空间群为P2₁ 2₁ 2₁,晶胞参数为a=18.784(9)?,b=14.002(7)?,c=8.598(5)?,z=4,计算密度D_c=1.216g·cm^-1。使用菲利浦PW-1100四圆衍射仪收集衍射强度。该结构是在MULTAN-78求解失败以后,使用MULTAN-80,在正切修正时选择统 关键词：     

CRYSTAL STRUCTURE OF GOSSYPOL ACETIC ACID

The crystal structure of gessypol acetic acid (C_(30)H_(30)O_8-CH_3COOH) has been determinedby X-ray diffraction method. The crystals are triclinic with space group P1, unit cell dimen-sions: a=14.278(7)A, b=6.924(5)A, c=14.706(6)A, α=91.90(5)°, β=92.34(3)°, γ=98.71(5)°, Z=2. The structure has been solved by direct methods and refined by full-matrixleast-squares to a final conventional R=0.063 for observed reflexions. The crystal structureshows that the gossypol acetic acid is a complex which consists of one gossypol molecule andone acetic acid molecule through hydrogen bonding. However, there are no additional hydro-gen bonds between these complexes. The crystal structure is stabilized by Van der Waalsinteractions only.     

STRUCTURE DETERMINATION OF KANGLEMEISU A BY X-RAY DIFFRACTION METHOD

Kanglemeisu A (C_(50)H_(63)O_(19)N·CH_3OH) is the product of an actinomyces species from a soil sample gathered in China. Kanglemeisu A belongs to the triclinic system, space group P_1,unit cell:a=12.760(3), b=10.287(2), c=9.926(2) , α=88.39(2),β=78.64(2), γ=89.14(2). RANTAN direct method is used to solve the structure.The final discrepancy factor is R=0.0689, after atom coordinates and temperature factors have been refined with full matrix least squares.The structure skeleton consists of four parts, the naphthalene nucleus connected to the 5-membered ring, a 17-membered ring connected to C_2, a dimethyl butane diacid extended out from C_(20), β-D-3,4-OO' methylenedigitoxose passing through an oxygen bridge O_6 and linked to C_(27) of ansa ring.     

X射线衍射法测定康乐霉素A的结构

康乐霉素A(C_(50)H_(63)O_(19)N·CH_3OH)是从我国土壤样品中分离出来的放射线菌的代谢产物。康乐霉素A晶体属三斜晶系,空间群P_1,晶胞参数:α=12.760(3),b=10.287(2),c=9.926(2),α=88.39(2~0),β=78.64(2~0),γ=89.14(2~0)。用RANTAN直接法解出结构,原子坐标和温度因子经全矩阵最小二乘法修正后,最终偏离因子R=0.0689,结构骨架由四部分组成,一个五元环和萘核连结,一个十七元冠状环接到萘核的C_3和五元环的C_(12)上,从冠状环的C_(20)上伸出一个二甲基丁二酸,β-D-3,4-OO′甲叉毛地黄毒糖经过一个氧桥O_6接到冠状环的C_(27)上。     

(Z)-1-溴-2-(对氯苯基)-1,2-双(对甲氧苯基)-乙烯晶体结构

题目化合物(C₂₂H₁₈O₂ClBr)为单斜晶系,空间群为(P2₁)/n,晶胞参数a=19.502(10)?,b=9.118(5)?,c=11.233(6)?;β=88.18(1)°。结构由MULTAN-80确定。首先在E图上确定了溴原子位置,由加权傅里叶综合定出了其余26个非氢原子坐标。原子坐标按各向同性和各向异性温度因子各修正两轮后,计算差值电子密度图,从差值图上找出了全部氢原子。氢原子坐标按各向同性和非氢原子按各 关键词：     

醋酸棉酚晶体结构

醋酸棉酚(C_(30)H_(30)O_8—CH_3COOH)晶体结构用X射线衍射方法测定。晶体属三斜晶系,空间群为P1,晶胞参数:本结构是用直接法解的。对可观察反射进行全矩阵最小二乘修正,得到最终R=0.063。晶体结构显示一个棉酚分子与一个醋酸分子通过氢键连接构成醋酸棉酚复合物。复合物之间不存在氢键,晶体结构仅由范氏力相互作用维持稳定。