Crystal structure and anti/syn-conformational isomers of trans-bis[dibromobis(2,2-dimethyl-1,3-propanediamine)chromium(III)] tetrabromozincate

2021 ◽  
Vol 519 ◽  
pp. 120259
Author(s):  
Dohyun Moon ◽  
Jong-Ha Choi
1983 ◽  
Vol 38 (5) ◽  
pp. 554-558 ◽  
Author(s):  
Herbert Binder ◽  
Walter Matheis ◽  
Hans-Jörg Deiseroth ◽  
Han Fu-Son

Abstract Acyloxyfluoroboranes Trimeric alkoxydifluoroboranes (F2BOR)3 (2) react with organic acid anhydrides by substitution of a ring group OR forming monocyclic acyloxyfluoroboranes of the type 2,2,6,6-tetrafluoro-l,4-dialkyl-l,3,5-trioxa-2,6-diboracyclohexene (3). The X-ray crystal structure determination of 3a shows two conformational isomers: two planar and two non-planar six-membered rings are present in the unit cell. The ring conformation is influenced by weak intermolecular H — F interactions.


1990 ◽  
Vol 45 (4) ◽  
pp. 476-482 ◽  
Author(s):  
Hubert Schmidbaur ◽  
Graham A. Bowmaker ◽  
Otto Kumberger ◽  
Gerhard Müller ◽  
Werner Wolfsberger

The crystal structure of Me3SiNPPh2CH2PPh2 (1) has been determined in order to obtain information about the ground state conformation in the solid, and about unusual steric effects which could give rise to conformational isomers. It was recently proposed that such isomers exist due to restricted rotation about the P=N bond, and are generated by heating the compound to 160 C. The evidence for them was based on the observation of multiple NMR signals in CDCl3 solutions of samples which had been so treated. The crystal structure yields a P–N–Si bond angle of 150.2(2), a P–N bond length of 1.529(3) Å and a Si–N bond lengths of 1.668(3) A. It is clear that, as a result of the relatively large P–N–Si angle in 1, there is no steric hindrance to rotation about the P–N bond in this molecule. Attempts to study the energetics of the proposed isomerization by recording the NMR spectra of heated samples showed that the previously reported multiple NMR signals are not generated in this way. However, such signals are generated at ambient temperature under various circumstances, for example in the course of the reaction of a CDCl3 solution of 1 with methanol to produce HNPPh2CH2PPh2 (2). The observation that it is not necessary to heat 1 in order to generate these signals makes their assignment to rotational isomers rather less likely. In the absence of a reproducible method of producing these signals in a pure sample, the existence of such isomers should be regarded as not yet proven.


1970 ◽  
Vol 24 ◽  
pp. 908-918 ◽  
Author(s):  
Karen Gram Jensen ◽  
Hans Soling ◽  
Niels Thorup ◽  
Per Halfdan Nielsen ◽  
S. E. Rasmussen ◽  
...  

2008 ◽  
Vol 63 (11) ◽  
pp. 1262-1266
Author(s):  
Tianhui Hua ◽  
Wansheng You ◽  
Limei Daia ◽  
Yi Zhao ◽  
Yong Fang ◽  
...  

Abstract The complexes [Zn(dpa)MoO4] (1) and [Zn(dpa)MoO4]·0.5H2O (20.5H2O) (dpa = 2,2'-dipyrid- ylamine) were synthesized hydrothermally. Single crystal structure analyses indicate that 1 and 2 are conformational isomers. They both consist of binuclear units of edge-sharing {ZnN2O3} trigonal bipyramids bridged by pairs of bidentate briding {MoO4}2- anions into a one-dimensional ribbon, but their orientations of the terminal O atoms of the {MoO4}2- anions are different. In 1 and 2, the ribbon-like chains are connected into a 2D network via hydrogen bonding interactions between the central N-H portions of the dpa molecules and the terminal O atoms of {MoO4} tetrahedra. For 2, in addition, the hydrogen bonding interactions between the crystal water molecules and the terminal O atoms of {MoO4} tetrahedra join the 2D layers into a 3D architecture. They play an important role not only in constructing the 3D architecture, but also in the conformational stability.


Author(s):  
Douglas L. Dorset ◽  
Anthony J. Hancock

Lipids containing long polymethylene chains were among the first compounds subjected to electron diffraction structure analysis. It was only recently realized, however, that various distortions of thin lipid microcrystal plates, e.g. bends, polar group and methyl end plane disorders, etc. (1-3), restrict coherent scattering to the methylene subcell alone, particularly if undistorted molecular layers have well-defined end planes. Thus, ab initio crystal structure determination on a given single uncharacterized natural lipid using electron diffraction data can only hope to identify the subcell packing and the chain axis orientation with respect to the crystal surface. In lipids based on glycerol, for example, conformations of long chains and polar groups about the C-C bonds of this moiety still would remain unknown.One possible means of surmounting this difficulty is to investigate structural analogs of the material of interest in conjunction with the natural compound itself. Suitable analogs to the glycerol lipids are compounds based on the three configurational isomers of cyclopentane-1,2,3-triol shown in Fig. 1, in which three rotameric forms of the natural glycerol derivatives are fixed by the ring structure (4-7).


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