New Bond-Delocalized Dianions: The Crystal Structure of 1,3-Bis(dicyanomethylene) Croconate Salt (C 11 N 4 O 3 K 2 · 2H 2 O)

C N O K · 2H O crystallizes in the triclinic space group with = 8.568(2), = 9.105(4), = 9.818(4)Å, = 103.61(3), = 107.63(3), = 101.58(3)°; = 2, = 1.716, = 1.72(2)g cm (flotation). The structure was solved by direct methods and was refined by full-matrix least-squares procedures to a final of 0.074 f...

Full description

Saved in:
Bibliographic Details
Published in:Journal of research of the National Bureau of Standards (1977) 1980-03, Vol.85 (2), p.87-97
Main Authors: Himes, Vicky L, Mighell, Alan D, Hubbard, Camden R, Fatiadi, Alexander J
Format: Article
Language:English
Subjects:
Physics and Chemistry
Citations: Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:C N O K · 2H O crystallizes in the triclinic space group with = 8.568(2), = 9.105(4), = 9.818(4)Å, = 103.61(3), = 107.63(3), = 101.58(3)°; = 2, = 1.716, = 1.72(2)g cm (flotation). The structure was solved by direct methods and was refined by full-matrix least-squares procedures to a final of 0.074 for 1989 observed reflections. The five-membered ring is planar and pentagonal. The two = C(CN) groups define separate planes which form angles of 3.36 and 6.30° with the plane of the five-membered ring. The dianions form stacks along the a-axis. In a given stack, there is an alternating sequence of perpendicular distances (3.32, 3.42Å) between the planes defined by the ring atoms.
ISSN:0160-1741
2376-5259
DOI:10.6028/jres.085.006