Molecular and crystal structure of 1-(trifluoroacetyl)-2-methylhydrazine

It was shown by x-ray diffraction analysis that 1-(trifluoroacetyl)-2-methyl-hydrazine molecules are combined in a crystal into centrosymmetric hexameric association complexes by a system of N-H...N and N-H...O hydrogen bonds.Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 1, pp. 61–64, January, 1990.     

Molecular and crystal structure of 2-(N-benzyl-N-phenylhydrazinoethylidene)-3-(2H)-benzo[b]-thiophenone

X-ray structural analysis was used to determine the molecular and crystal structure of 2-(N-benzyl-N-phenylhydrazinoethylidene)-3-(2H)-benzo[b]thiophenone. The crystals are monoclinic, the space group isC2/c,a=16.022(6),b=11.202(3),c=22.111(4) Å, =81.08(3)°, and andZ=8. It was shown that the ability of hydrazones of a similar class to exhibit photochromic properties is a function of the steric stresses in the molecules and their confirmation.Institute of Chemical Physics in Chernogolovka, Russian Academy of Sciences, 142432 Chernogolovka. Translated fromIzvestiya Akademii Nauk, Seriya Khimicheskaya, No. 12, pp. 2805–2809, December, 1992.     

Molecular and crystal structure of 3-(p-tolylamino)-propionitrile

Conclusions Crystalline 3-(p-tolylamino)propionitrile has trans conformation for the Ar-N-C-C fragment and gauche conformation for the N-C-C-CN fragment. The deviation of the aniline fragment from planarity is 23.6°.Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 11, pp. 2481–2483, November, 1987.     

Molecular and crystal structure of 1-(methylenetriphenylphosphorane)-1-boraadamantane

Conclusions The molecular structure of 1-(methylenetriphenylphosphorane)-1-boraadamantane was determined and the existence of charge delocalization leading to P-C bond shortening and B-C bond lengthening was established.Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 11, pp. 2483–2487, November, 1985.Deceased.     

Molecular and crystal structure of (E)-4-chloro-N-(3,4-dimethoxybenzylidene)aniline

The reaction of 3,4-dimethoxybenzaldehyde with 4-chloroaniline (1:1 molar ration) leads to the formation of a new Schiff base (E)-4-chloro-N-(3,4-dimethoxybenzylidene)aniline (1) that is successfully obtained and characterized by elemental analyses, FT-IR and ¹H NMR spectroscopy, and single crystal X-ray diffraction. The strong absorption band at 1620 cm⁻¹ in the FT-IR spectrum and a singlet signal at 8.32 ppm in the ¹H NMR spectrum of 1 clearly proves the presence of the C=N (azomethine) group. Single crystal X-ray analyses reveal that the title compound adopts an E configuration with respect to the C=N bond.     

Molecular and crystal structure of 2-(2-methyl-2-propenyl)-1,3-cyclopentanedione (C9H12O2)

An x-ray crystal structure study of 2-(2-methyl-2-propenyl)-1,3-cyclopentane-dione (C₉H₁₂O₂) has been carried out. It has been shown that in the solid this compound occurs exclusively in the enol form. The molecules are bound together by strong hydrogen bonds and form infinite chains along the b-axis. According to the spectroscopic data (¹H and¹³C NMR), the same compound in solution has a mesomeric structure.Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 8, pp. 1794–1797, August, 1991.     

The crystal structure of 1-p-bromophenylsilatrane at 293 K and 133 K

The crystal structure of 1-p-bromophenylsilatrane was determined at ambient and low temperature. The methylene groups of the silatrane skeleton in the β-position to the nitrogen atom are disordered in the ambient temperature structure. The disorder disappears at 133 K. The Si ← N dative bond length is nearly identical at both temperatures (2.139(3) and 2.132(2) Å). The deviation of the atoms in the silatrane moiety from the ideal three-fold symmetry seems to point to the most dynamically behaving parts of the molecule.     

Molecular and crystal structure of 2-para-toluimido-4,4-dimethyl-(4H)-1,3-thiazine

The imino structure of 2-p-toluimido-4,4-dimethyl-(4H)-1,3-thiazine (I) was demonstrated by x-ray diffraction structural analysis. Molecules of I in the crystal are linked by N-HO hydrogen bonds in infinite chains. A shortened SO intramolecular contact was found which corresponds to a secondary interaction. A mechanism was proposed for the thiazoline-thiazine rearrangement.Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 12, pp. 1638–1643, December, 1984.     

Molecular and crystal structure of 1,1-bis(methoxy-NNO-azoxy)-3,3,3-trinitropropane

The crystal structure of 1,1-bis(methoxy-NNO-azoxy)-3,3,3-trinitropropane is studied.     

Molecular and crystal structure of 4-acetyl-3-(5-nitrofurfuryl)-1-(4-chlorobenzylidene)-thiosemicarbazide

Krasnodarsk Polytechnical Institute. Translated from Zhurnal Strukturnoi Khimii, Vol. 33, No. 3, pp. 149–151, May–June, 1992.     

Molecular and crystal structure of 4-trifluoro-2-[2-(4-fluorophenyl)hydrazine-1-ylidene]-1-(thiophen -2-yl)butane-1,3-dione

Single crystal X-ray diffraction is used to determine the crystal and molecular structure of 4-trifluoro-2-[2-(4-fluorophenyl)hydrazine-1-ylidene]-1-(thiophen-2-yl)butane-1,3-dione. Crystallographic data for C₁₄H₈F₄N₂O₂S are as follows: a = 8.2723(6) ?, b = 9.3009(7) ?, c = 9.9895(7) ?; α = 79.224(2)°, β = 75.851(2)°, γ = 72.337(2)°. Triclinic crystal system, P-1 space group, d _x = 1.622 g/cm³, V = 704.83(9) ?³, μ = 0.286 mm⁻¹, crystal size 0.30×0.20×0.20 mm, R1 = 0.0891, wR2 = 0.1989.     

4-Alkoxycarbonyl-2-(2-pyridyl)thiazoles and their complexes with CuII and CoII. Molecular and crystal structure of copper 4-ethoxycarbonyl-2-(2-pyridyl)thiazole dichloride

The first synthesis of ethyl 2-(2-pyridyl)thiazole4-carboxylate ( 2) and bis[2-(2-pyridylthiazol-4-ylcarbonyloxy)ethyl] disulfide ( 4) is described. The complexation of compounds 2 and 4 with Cu^II, Co^II, and Ni^II chlorides and perchlorates has been studied. Electrochemical behavior of the ligands and complexes obtained has been investigated by cyclic voltammetry and using rotating disk electrode, which allowed us to confirm the possibility for the ligand 4 and its complexes to be adsorbed on the surface of a gold electrode.     

Synthesis and crystal structure of 4-(2-chlorophenylamino)-6-methoxy-2-phenylquinazoline

4-(2-Chlorophenylamino)-6-methoxy-2-phenylquinazoline was synthesized from substituted thiourea by the photochemical method. The structure of the title compound was confirmed by IR, ¹H NMR, mass spectrometry, and X-ray crystallography.     

Molecular and crystal structure of 1-phenyl-3-methyl-5-(o-hydroxyphenyl)-1,2,4-triazole

A choice between the possible mechanisms of the recyclization of 4-oxo-1,3-benzoxazine salts due to reaction with phenylhydrazine was made based on the x-ray structure of 1-phenyl-3-methyl-5-(o-hydroxyphenyl)-1,2,4-triazole.Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 1, pp. 109–111, January, 1989.