Isomerism due to the rotation of an alkyl side-chain attached to a heterocyclic ring: Crystal and molecular structure of two forms of 6-nitro-2,4-bis(1?,1?,2?-trichloropropyl)-1,3-benzdioxin

1988 ◽  
Vol 18 (1) ◽  
pp. 87-100 ◽  
Author(s):  
Anne Irving ◽  
Harry M. N. H. Irving
Keyword(s):  
Molecular Structure ◽  
Crystal And Molecular Structure ◽  
Heterocyclic Ring ◽  
Side Chain ◽  
Alkyl Side Chain

Crystal and molecular structure of heptacain hydrochloride

1986 ◽  
Vol 51 (2) ◽  
pp. 264-270 ◽  
Author(s):  
František Pavelčík ◽  
Milan Remko ◽  
Jozef Čižmárik ◽  
Jaroslav Majer
Keyword(s):  
Molecular Structure ◽  
Least Squares Method ◽  
Crystal And Molecular Structure ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Piperidine Ring ◽  
Side Chain ◽  
Ring Plane ◽  
Benzene Ring Plane ◽  
Carbamate Group

The crystal and molecular structure of heptacain hydrochloride was determined from three-dimensional diffractometric data. The carbamate group was found to be rotated out of the benzene ring plane by 15.5°, whilst the piperidine ring is in a more stable chair conformation. The heptyloxy side chain is in a stable all-trans conformation. The structure was refined by the full matrix least-squares method to a final R value 0.1127 for the observed reflections.

scholarly journals Studies in the Biochemistry of Micro-organisms. Part XV.—The Molecular Structure of Citrinin

1931 ◽  
Vol 220 (468-473) ◽  
pp. 297-300 ◽  
Keyword(s):  
Molecular Structure ◽  
Potassium Hydroxide ◽  
Side Chain ◽  
Hydroxyl Groups ◽  
Alkyl Side Chain ◽  
Present Communication ◽  
Colour Reaction ◽  
Dihydric Phenol ◽  
Resorcinol Derivative ◽  
Micro Organisms

The present communication is, in effect, a discussion of the results obtained in the investigation of citrinin, and described in the preceding memoir (Part XIV ); these results, combined with some few further observations, appear to afford a key to the constitution of the substance. In considering this matter, it is convenient to start with the dihydric phenol, C 9 H 12 O 2 (I) (p. 290), which was obtained by fusing either of the isomeric products A or B (p. 283) with potassium hydroxide. This dihydric phenol has the composition of a dihydroxypropylbenzene, but the relative position of the hydroxyl groups and the arrangement of the alkyl side-chain or chains is unknown. The colour reaction with ferric chloride is, however, in agreement with the view that the substance is a resorcinol derivative, rather less well in harmony with the catechol hypothesis, and is hardly reconcilable with the assumption of a quinol nucleus.

Crystal and molecular structure of diphenylboron N-methylacethydroxamate (4,5-dimethyl-2,2-diphenyl-1,3-dioxa-4-azonia-2-boratacyclopent-4-ene)

1978 ◽  
Vol 56 (12) ◽  
pp. 1676-1680 ◽  
Author(s):  
Steven J. Rettig ◽  
James Trotter ◽  
W. Kliegel ◽  
D. Nanninga
Keyword(s):  
Molecular Structure ◽  
Least Squares ◽  
Crystal And Molecular Structure ◽  
Direct Methods ◽  
Heterocyclic Ring ◽  
Mirror Plane ◽  
Full Matrix ◽  
Space Group ◽  
Carbon And Nitrogen ◽  
Bond Lengths

Crystals of diphenylboron N-methylacethydroxamate are orthorhombic, a = 12.5478(8), b = 7.8735(3), c = 13.6809(5) Å, Z = 4, space group Pnam. The structure was solved by direct methods and was refined by full-matrix least-squares procedures to R = 0.037 and Rw = 0.054 for 1265 reflections with I ≥ 3σ(I). The molecule features a five-membered BO2CN ring which lies in the crystallographic mirror plane. The carbon and nitrogen atoms of the heterocyclic ring are positionally disordered. Mean bond lengths (corrected for libration) are: O—B, 1.550(2), B—C, 1.609(2), O—C/N, 1.340(3), C—N, 1.300(2), C/N—CH, 1.470(2), and C—C(phenyl), 1.394(8) Å.

Structure Influenced Physicochemical Properties of Pyridine Perrhenate Ionic Liquids

2011 ◽  
Vol 239-242 ◽  
pp. 1911-1914
Author(s):  
Xue Jun Gu ◽  
Da Wei Fang ◽  
Shuang Yue ◽  
Yu Liu ◽  
Shu Liang Zang
Keyword(s):  
Molecular Structure ◽  
Ionic Liquids ◽  
Physicochemical Properties ◽  
Side Chain ◽  
Pyridinium Salts ◽  
Alkyl Side Chain

A novel series of Pyridinium salts with rhenium group attached to the alkyl side chain, viz. [CnPy][ ReO4] (where CnPy is the N-alkyl- pyridine cation and Cn=(CH2)n-1CH3,n= 2-6), have been synthesized and characterized. The physicolchemical properties of the ionic liquids have been determined and estimated. The influence on physicolchemical properties by molecular structure was discussed.

Sign in / Sign up

Export Citation Format

Share Document