Andersen A M
Acta Chem Scand B. 1975;29(2):239-44. doi: 10.3891/acta.chem.scand.29b-0239.
The crystal structure of (--)-adrenaline has been determined by X-ray methods, using 831 observed reflections collected by counter methods. The crystals are monoclinic, space group P2-1 with a=7.873(2), b=6.790(2), c=8.638(2) A and beta=98.01(2) degrees. Least-squares refinements yielded a conventional R-factor of 0.053. Standard deviations in bond lengths are 0.005-0.006 A and in bond lengths aree 0.005-0.006 A and in bond angles 0.4 degrees. The adrenaline molecules were found to exist as zwitterions in the crystals. The conformation of the adrenaline molecule corresponds closely to that usually encountered among the salts of the sympathomimetic amines. The crystals consist of molecular double layers parallel to (100). The molecules within a layer are linked through hydrogen bonds of the types N--H...O and O--H...O, whereas the layers are connected by van der Waals interactions.
（-）-肾上腺素的晶体结构已通过X射线方法测定，使用计数器方法收集了831个观察到的反射。晶体为单斜晶系，空间群P2-1，a = 7.873(2)，b = 6.790(2)，c = 8.638(2) Å，β = 98.01(2)°。最小二乘法精修得到的传统R因子为0.053。键长的标准偏差为0.005 - 0.006 Å，键角的标准偏差为0.4°。发现肾上腺素分子在晶体中以两性离子形式存在。肾上腺素分子的构象与拟交感神经胺盐中通常遇到的构象密切对应。晶体由平行于（100）的分子双层组成。层内分子通过N - H...O和O - H...O类型的氢键相连，而层与层之间通过范德华相互作用连接。
