Crystal and molecular structure of 4-acetyl-3-methyl-7β-phenoxyacetamido-Δ3-cephem
Crystal and molecular structure of 4-acetyl-3-methyl-7β-phenoxyacetamido-Δ3-cephem
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4-乙酰基-3-甲基-7β-苯氧基乙酰胺基-Δ3-头孢烯的晶体和分子结构
DOI：
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发表时间：
1978
期刊：
影响因子：
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通讯作者：
G. Meinardi
中科院分区：
文献类型：
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作者：
P. Domiano;M. Nardelli;A. Balsamo;B. Macchia;F. Macchia;G. Meinardi
用三维衍射法测定了标题化合物(4)的晶体结构。晶体属正交晶系，空间群为P212121，Z=4，晶胞尺寸a=23.771(7)，b=8.833(2)，c=7.943(7)A，用直接法求解，用最小二乘法修正为R_(0.051)。并与其他Δ3-头孢菌素衍生物的相关分子参数进行了比较。特别是，观察到了β-内酰胺环的同样的扭曲；内酰胺-氮原子在0.20A的范围内脱离了其成键的碳原子的平面。
The crystal structure of the title compound (4) has been determined by three-dimensional diffraction methods. Crystals are orthorhombic, space group P212121 with Z= 4, unit cell dimensions a= 23.771(7), b= 8.833(2), c= 7.943(7)A. The structure has been solved by direct methods and refined by least-squares to R 0.051. The relevant molecular parameters are compared with those of other Δ3-cephem derivatives. In particular the same distortions of the β-lactam ring are observed; the lactam-nitrogen atom is out of the plane of its bonded carbon atoms by 0.20 A.