CRYSTAL-STRUCTURE OF 2-SULFANILAMIDOPYRIMIDINESILVER(I)
CRYSTAL-STRUCTURE OF 2-SULFANILAMIDOPYRIMIDINESILVER(I)
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DOI：
10.1021/ic50162a014
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发表时间：
1976-01-01
影响因子：
4.6
通讯作者：
STRUSS, AW
中科院分区：
文献类型：
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作者：
BAENZIGER, NC;STRUSS, AW
用单晶自动X-射线衍射仪测定了烧伤治疗化合物2-磺胺嘧啶银（I）（Ag（C10 HgNaO 2S））的晶体结构。晶体数据为：a= 6.173（2），B= 9.600（5），c= 20.30（2）λ，λ = 96.22（8），λ/（测量的）= 1.982（3），λ/（定标的）= 1.983，Z= 4，P2\/c，1719个全反射，1151个存在，Ri= 0.053，Rj= 0.031，来自全矩阵最小二乘法。嘧啶环的氮原子与两个不同的银原子配位，形成延伸穿过晶体的聚合物链。该链中的每个银原子也与链中2-磺胺嘧啶分子的磺酰基中的一个氧原子配位。第二条相同的链（通过对称中心相关）通过每条链的银原子与另一条链中2-磺胺嘧啶分子的亚氨基氮原子的配位连接到第一条链上。此外，一条链中的银原子与另一条链中与银相关的银原子的距离仅为2.916（1）π。双链链进一步通过胺氢原子和磺酰基氧原子氢键合以形成双链链的平面片。银的配位是畸变的三角双锥。
The crystal structure of 2-sulfanilamidopyrimidinesilver (I), AgfCioHgNaOzS), a burn treatment compound, was determined from single-crystal automated x-ray diffractometer measurements. The crystal data are: a= 6.173 (2), b= 9.600 (5), c= 20.30 (2) Á, ß= 96.22 (8),¿/(measured)= 1.982 (3),¿/(caled)= 1.983, Z= 4, P2\/c, 1719 total reflections, 1151 present, Ri= 0.053, Rj= 0.031, from full matrix least squares. The nitrogen atoms of the pyrimidine ring coordinate to two different silver atoms to form polymeric chains extending through the crystal. Each silver atom in this chain is also coordinated to one oxygen atom from the sulfonyl group of the 2-sulfanilamidopyrimidine molecule in the chain. A second identical chain (related by center of symmetry) is joined to the first chain by the coordination of the silver atom from each chain to the imido nitrogenatom of the 2-sulfanilamidopyrimidine molecule in the other chain. In addition, the silver atoms in one chain are only 2.916 (1) Á from the symmetry-related silver atom in the other chain. The double stranded chains are further hydrogen bonded by the amine hydrogen atoms and sulfonyl oxygen atoms to form planar sheets of the double-stranded chains. The coordination about silver is a distorted trigonal bipyramid.