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Zeitschrift für Naturforschung A

A Journal of Physical Sciences

Editor-in-Chief: Holthaus, Martin

Editorial Board: Fetecau, Corina / Kiefer, Claus


IMPACT FACTOR 2016: 1.432

CiteScore 2017: 1.30

SCImago Journal Rank (SJR) 2017: 0.403
Source Normalized Impact per Paper (SNIP) 2017: 0.632

Online
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1865-7109
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Volume 31, Issue 12

Issues

The Structure of 1,2,4-Thiadiazole by DRM Microwave Spectroscopy

Otto L. Stiefvater
  • School of Physical and Molecular Sciences University College of North Wales Bangor, Gwynedd LL 57 2 UW, U. K
  • Other articles by this author:
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Published Online: 2014-06-02 | DOI: https://doi.org/10.1515/zna-1976-1235

Abstract

Rotation spectra of 1.2,4-thiadiazole have been studied for naturally occurring 34S-, 13C-and 15N-species of the normal and the 5-d1 form, and the 12 sets of moments of inertia have been used to determine the substitution structure in the two principal axes systems. Agreement within less than 0.0005 Å and 0.02° for distances and angles, respectively, between the two independent sets of structure parameters was obtained through the use of the rotation of axes under substitution in combination with the first and second moment conditions.

The averaged bond lengths (in Å) and angles (in degrees) are:

S(1) - N(2) : 1.6490 C(5)S(1)N(2) : 92.75

N(2) - C(3) : 1.3166 S(1)N(2)C(3) : 107.09

C(3) - N(4) : 1.3663 N(2)C(3)N(4) : 120.12

N(4) - C(5) : 1.3133 C(3)N(4)C(5) : 107.74

C(5) - S(1) : 1.7071 N(4)C(5)S(1) : 112.30

C(5) - H(5) : 1.0785 S(1)C(5)H(5) : 123.90

C(3) - H(3) : 1.078 N(2)C(3)H(3) : 119.94

The H(3) atom was assumed on the external bisector of N(2)C(3)N(4) at a distance of 1.078 Å from C(3).

Geometric features of the four thiadiazoles are compared, and the method used in the structure calculation is discussed.

About the article

Received: 1976-10-20

Published Online: 2014-06-02

Published in Print: 1976-12-01


Citation Information: Zeitschrift für Naturforschung A, Volume 31, Issue 12, Pages 1681–1689, ISSN (Online) 1865-7109, ISSN (Print) 0932-0784, DOI: https://doi.org/10.1515/zna-1976-1235.

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© 1946 – 2014: Verlag der Zeitschrift für Naturforschung. This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License. BY-NC-ND 3.0

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