3-Methylthio-1,2,4-triazine: a comparison of experimental and theoretical structures

被引：1

作者：

Palmer, MH

Parsons, S

Smith, S

Blake, AJ

Guest, MF

机构：

[1] Univ Edinburgh, Dept Chem, Edinburgh EH9 3JJ, Midlothian, Scotland

[2] Univ Nottingham, Dept Chem, Nottingham NG7 2RD, England

[3] SERC, Daresbury Lab, CCLRC, TCS Div, Warrington WA4 4AD, Cheshire, England

来源：

ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS | 1998年 / 54卷

关键词：

D O I：

10.1107/S0108270197016533

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

;The theoretical equilibrium and X-ray crystallographic structures of 3-methyl-1,2,4-triazine, C4H5N3S, show a high level of agreement. The calculated charge distributions are analysed for each of four conformers; that with lowest energy is present both in the solid and in mesitylene solution, as shown by dipole-moment measurements.

引用

页码：550 / 553

页数：4

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