Crystal Structure and DFT Study of N-(6-(Diphenylamino)Pyridin-2-Yl)-N-Phenylacetamide

被引：1

作者：

Okuda, T. ^{[1
]}

Umezono, S. ^{[1
]}

Okuno, T. ^{[1
]}

机构：

[1] Wakayama Univ, Dept Mat Sci & Chem, Wakayama, Japan

来源：

JOURNAL OF STRUCTURAL CHEMISTRY | 2019年 / 60卷 / 03期

基金：

日本科学技术振兴机构;

关键词：

crystal structure; theoretical calculation; acetamide; pyridine; hydrogen bond;

D O I：

10.1134/S0022476619030065

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The title compound N-(6-(diphenylamino)pyridin-2-yl)-N-phenylacetamide (1) crystallizes in the monoclinic crystal system in the space group P2(1)/n with unit cell parameters a = 9.571(7) , b = 9.333(6) , c = 22.431(16) , = 100.669(10)degrees, V = 1969(2) (3), and Z = 4. The structures of amine and amide units are planar. Dihedral angles of a pyridine ring with the amine and amide planes are 20.19(11)degrees and 37.21(8)degrees, respectively, indicating that an electron-rich diphenylamino group makes better conjugation with an electron-deficient pyridine ring. The oxygen atom of the amide group forms an intramolecular hydrogen bond with a hydrogen atom of the pyridine ring.

引用

页码：394 / 397

页数：4

共 6 条

[1] SIR92 - a program for automatic solution of crystal structures by direct methods [J].