The Structure of 2-Methylphenylcyanamide in the Solid State

M. A. Kinzhalov; A. S. Novikov; O. V. Khoroshilova; N. A. Bokach

doi:10.1134/S0022476618060082

The Structure of 2-Methylphenylcyanamide in the Solid State

作者: Kinzhalov M.A.¹, Novikov A.S.¹, Khoroshilova O.V.¹, Bokach N.A.¹
隶属关系:
1. Saint Petersburg State University
期: 卷 59, 编号 6 (2018)
页面: 1302-1307
栏目: Article
URL: https://journals.rcsi.science/0022-4766/article/view/162017
DOI: https://doi.org/10.1134/S0022476618060082
ID: 162017

如何引用文章

全文:

开放存取

##reader.subscriptionAccessGranted##
受限制的访问

订阅存取

详细
作者简介
参考
补充文件
统计

详细

The structure of 2-methylphenylcyanamide NCNH(C₆H₄Me-2) is established in the solid state using single crystal X-ray diffraction data. The contribution of various intermolecular contacts to the crystal packing is studied using the Hirshfeld surface analysis and quantum chemical calculations within the density functional (DFT) M06-2X/6-311++G(d,p) level of theory.