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

共 50 条

[1] SOME FEATURES OF BIOLOGICAL EFFECT OF 1,2,4-TRIAZINE METHYLTHIO DERIVATIVES
CIHAK, A
VESELY, J
SORM, F
COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS, 1966, 31 (03) : 1124 - &
[2] 3-Amino-1,2,4-triazine
Perpétuo, GJ
Janczak, J
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY, 2002, 58 (07): : O431 - O432
[3] 3-AMINO-1,2,4-TRIAZINE DERIVATIVES
HABER, RG
SCHONBER.E
ISRAEL JOURNAL OF CHEMISTRY, 1966, 3 (4A) : P73 - &
[4] Synthesis and structure of p-chlorophenylhydrazone of 3-(methylthio)-5-propanoyl-1,2,4-triazine
Karczmarzyk, Z
Mojzych, M
Rykowski, A
JOURNAL OF CHEMICAL CRYSTALLOGRAPHY, 2000, 30 (06) : 423 - 427
[5] Synthesis and structure of p-chlorophenylhydrazone of 3-(methylthio)-5-propanoyl-1,2,4-triazine
Z. Karczmarzyk
M. Mojzych
A. Rykowski
Journal of Chemical Crystallography, 2000, 30 : 423 - 427
[6] CHEMISTRY OF 1,2,4-TRIAZINE .9. REACTION OF 3,5,6-TRICHLORO-1,2,4-TRIAZINE WITH DIMETHYLAMINE AND METHANOLYSIS OF 3,6-DICHLORO-5-DIMETHYLAMINO-1,2,4-TRIAZINE
PISKALA, A
SORM, F
COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS, 1976, 41 (02) : 465 - 471
[7] Theoretical and experimental study of solvent effects on the structure, vibrational spectra, and tautomerism of 3-amino-1,2,4-triazine
Yurdakul, Senay
Tanribuyurdu, Sibel
JOURNAL OF MOLECULAR STRUCTURE, 2013, 1052 : 57 - 66
[8] 1,2,4-TRIAZINE CHEMISTRY .11. DIHYDRO-1,2,4-TRIAZINES - STRUCTURAL STUDIES ON SODIUM-BOROHYDRIDE REDUCTION PRODUCTS FROM SOME 3-METHYLTHIO-1,2,4-TRIAZINES AND 3-METHOXY-1,2,4-TRIAZINES
SASAKI, T
MINAMOTO, K
HARADA, K
JOURNAL OF ORGANIC CHEMISTRY, 1980, 45 (23): : 4594 - 4597
[9] SYNTHESIS OF 1,2,4-TRIAZINE
PAUDLER, WW
BARTON, JM
JOURNAL OF ORGANIC CHEMISTRY, 1966, 31 (06): : 1720 - &
[10] UBER 1,2,4-TRIAZINE
METZE, R
ANGEWANDTE CHEMIE, 1954, 66 (23): : 753 - 753

← 1 2 3 4 5 →