X-ray structure investigation of 1-acetoxy-1-cyano-2-naphthylethylene and 1,1-dicyano-2-naphthylethylene
X-ray structure investigation of 1-acetoxy-1-cyano-2-naphthylethylene and 1,1-dicyano-2-naphthylethylene
复制标题
1-乙酰氧基-1-氰基-2-萘基乙烯和1,1-二氰基-2-萘基乙烯的X射线结构研究
DOI：
10.1134/1.1420826
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发表时间：
2001
影响因子：
0.7
通讯作者：
M. Y. Antipin
中科院分区：
文献类型：
--
作者：
V. Nesterov;L. Kuleshova;M. Y. Antipin
用X-射线结构分析确定了1-乙酰氧基-1-氰基-2-萘乙烯(I)和1，1-二氰基-2-萘乙烯(II)的晶体结构。晶体I为单斜晶系，25℃时晶胞参数为：β=107.90(2)°，V=1324.7(7)ä3，Dcalcd=1.260 g/cm~3，Z=4，空间群P21/n，晶胞参数a=17.308(6)？，b=4.507(1)？，c=17.845(5)？在25℃时，晶胞参数为a=3.827(1)？，b=15.784(4)？，c=17.226(2)？，β=91.22(2)°，V=15.784(4)？3，dcalcd=1.304 g/cm~3，Z=4，空间群P21/n.结果表明，在I和II的晶体结构中，该系列化合物的分子堆积是通过沿最小晶胞参数方向的堆积接触形成的.
The crystal structures of 1-acetoxy-1-cyano-2-naphthylethylene (I) and 1,1-dicyano-2-naphthylethylene (II) are determined by X-ray structure analysis. Crystals I are monoclinic; at 25° C, the unit cell parameters are as follows: a = 17.308(6) Å, b = 4.507(1) Å, c = 17.845(5) Å, β = 107.90(2)°, V = 1324.7(7) Å3, dcalcd = 1.260 g/cm3, Z = 4, and space group P21/n. Crystals II are monoclinic; at 25°C, the unit cell parameters are a = 3.827(1) Å, b = 15.784(4) Å, c = 17.226(2) Å, β = 91.22(2)°, V = 1040.3(4) Å3, dcalcd = 1.304 g/cm3, Z = 4, and space group P21/n. It is revealed that, in crystal structures of I and II, the molecular stacks characteristic of compounds of this series are formed through stacking contacts along the direction of the smallest lattice parameter.