THE CRYSTAL STRUCTURE OF THE AZULENE, S-TRINITROBENZENE COMPLEX,

reportActive / Technical Report | Accession Number: AD0620755 | Need Help?

Abstract:

The crystal is monoclinic P21a, with Z4. Unit-cell constants at -95C are a16.39, b6.66, c13.77A, Beta 96.10 degrees. The formula is C10H8,C6H3N3O6. The structure was determined from the three-dimensional Patterson synthesis, and refined by least-squares procedures. The structure is disordered, with about 7 of the azulene molecules adopting an alternative orientation, but this disorder did not seriously limit the accuracy of the analysis. The azulene molecule is nearly planar, but the s-trinitrobenzene molecule is not. The NO2 groups are twisted out of the plane of the benzene nucleus by amounts which vary, and which are probably determined by molecular environment. The constituent molecules overlap each other with an average interplanar spacing of 3.33A, but two C-N contacts are found to have lengths of 3.30A. Author

Author(s):
Hanson, A. W.
Author Organization(s):
NATIONAL RESEARCH COUNCIL OF CANADA OTTAWA (ONTARIO) DIV OF PURE PHYSICS
Supplementary Note:
Pub. in Acta Crystallographica v19 pt1 p19-26 Jul 1965 (Copies available only to DDC users).
Annotation:
Reprint: Crystal structure of the azulene, s-trinitrobenzene complex.
Pagination:
0008

Security Markings

DOCUMENT & CONTEXTUAL SUMMARY

Distribution:
Approved For Public Release

RECORD

Collection: TR
Identifying Numbers
Report Number(s):
NRC-8531
 Subject Terms
Communities of Interest:
Air Platforms
Descriptor(s):
(*COMPLEX COMPOUNDS, CRYSTAL STRUCTURE), (*NITROBENZENES, COMPLEX COMPOUNDS), (*POLYCYCLIC COMPOUNDS, COMPLEX COMPOUNDS), CHEMICAL BONDS, MOLECULAR STRUCTURE, MOLECULAR ASSOCIATION, CANADA
Keyword(s):
AZULENES, TRINITRO BENZENES
Report Date:
1964 Nov 09