Crystal and molecular structure of subchrysine (3-O-acetylridentine), a new germacranolide fromArtemisia subchrysolepis

A new sesquiterpenoid lactone was isolated from terrestrial parts ofArtemisia subchrysolepis Filat. and studied by X-ray diffraction analysis and CD spectroscopy. This compound was called subchrysine and identified as (1R,3S,4E,6R,7S)-3-acetoxy-1-hydroxygernmacra-4,10(14), 11(13)-trien-12,6-olide. Pronounced temperature dependence of the¹H and¹³C NMR spectra of subchrysine was observed. The results of conformational analysis of subchrysine by quantum-chemical (PM3) and molecular mechanics (MMX) methods are also presented. Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 7, pp. 1429–1433, July, 1998.     

Crystal and molecular structure of 3-(2-amino-pyridinium)-propionate monohydrate

A novel betaine derivative, 3-(2-amino-pyridinium)-propionate monohydrate, has been synthesized and its structure studied by X-ray diffraction, FTIR, Raman, ¹H and ¹³C NMR spectroscopies and by DFT calculations. The crystals are monoclinic, space group P2₁/c with a=8.0800(16), b=15.242(3), c=7.1698(14) Å, β=104.30(3)° and Z=4. Each oxygen atom of the carboxylate group is engaged in two intermolecular hydrogen bonds, one with water molecule and the other with amine group. The water molecules link the molecules of 3-(2-amino-pyridinium)-propionate into planar zigzag chains along the b axis. The screening constants for ¹H and ¹³C atoms have been calculated by GIAO/B3LYP/6-31 G(d,p) and analyzed. Linear correlations between the experimental ¹H and ¹³C chemical shifts and the computed screening constants have been obtained. Raman and FTIR spectra of the title betaine have been investigated.     

Crystal and molecular structure of 1-(3-ammoniopropyl)silatrane chloride

By single crystal X-ray diffraction the crystal and molecular structure of 1-(3-ammoniopropyl)silatrane chloride (I) is determined. One of three cations in the asymmetric unit of the crystal of I differs from the other two by the length of the coordination N → Si bond. The opposite electronic effects in two geometrically similar cations are transferred inductively through a three-carbon chain.     

Crystal and molecular structure of 1,1-bis(hydroxyphenyl)-3-ketoisoindoline

The structure of the condensation product of phthalonitrile and phenol is found by x-ray structure analysis. The structure of a new class of polyheteroarylenes, polhydroxyphenylisoindazenes, is defined using the data obtained.Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 12, pp. 2792–2796, December, 1991.     

Crystallographic report: Crystal and molecular structure of tetramethylammoniumdiisothiocyanatotriphenyltin(IV), [NMe4SnPh3(NCS)2]

The structure of NMe₄SnPh₃(NCS)₂ is molecular, without any significant intermolecular contacts in the lattice. The trigonal plane around the tin atom is defined by three carbon atoms from the phenyl groups and the axial positions occupied by the NCS groups. Copyright © 2003 John Wiley & Sons, Ltd.     

Crystal and molecular structure of (2,6-dimethoxyphenyl)-trichlorostannane

Irkutsk Institute of Organic Chemistry, Siberian Branch, Academy of Sciences of the USSR. Translated from Zhurnal Strukturnoi Khimii, Vol. 28, No. 4, pp. 180–182, July–August, 1987.     

Crystal and molecular structure of guanidinium dicitratoferrate(II)

Synthesis and X-ray investigation of a (GunH)₂[Fe(Cit)₂] single crystal are described [a = 10.327(2) Å, b = 10.414(2) Å, c = 11.267(2) Å; β = 117.25(3)°, V = 1077.2(4) ų, P2₁/n, Z = 2, R(F) = 0,0239, 1196 reflections with I > 2σ(I )], where GunH is the guanidine cation (C(NH₂)₃)⁺, and Cit is the citric acid anion (C₆H₆O₇)^2?. The structure is composed of guanidinium cations and centrosymmetrical sym-cis-octahedral complex anions [Fe(Cit)₂]^2?. The Cit^2? anion acts as a cyclic tridentate ligand and forms condensed fiveand six-membered metal-containing cycles.     

Crystal and molecular structure of cyclohexa-(p-phenylene sulfide)

Institute of Heteroorganic Compounds, Academy of Sciences of the USSR. Translated from Zhurnal Strukturnoi Khimii, Vol. 31, No. 3, pp. 160–162, May–June, 1990.     

Crystal and molecular structure of di(para-nitrobenzoato)diaquolead

Journal of Structural Chemistry -