Crystal structure of benzoic acid 4-nitrobenzylidenhydrazide

The crystal structure of benzoic acid 4-nitrobenzylidenhydrazide has been determined. Crystal data: crystal system — monoclinic, a = 7.101(9) Å, b = 25.48(3) Å, c = 7.730(11) Å; β = 112.43(9)°, space group P2₁/n, Z = 4, R = 0.038. The compound under investigation has a non-planar structure in general, and the substituents at azomethine N-C bond are in E-position. Root-mean-square planes of the six-memebered heterocycles make angles of 29.9° and 37.7° to fairly planar hydrazine fragment. In crystalline state the compound forms layers, the molecules within the layers being linked by C-H...O bonds. Neighboring layers are connected by hydrogen bonds between carbonyl oxygen atoms and amide hydrogens.     

Structure and mechanism of the hydrolytic cleavage of o-[nitro(phenyl)acetyl] benzoic acid

Summary As a result of a study of the infrared spectra of -nitro--phenyl-acetophenone-o-carboxylic acid and its disodium salt, the structure of these two compounds was established and the cause of their different behavior in respect to hydrolytic agents was clarified.Paper 32 in the series Oxidative and Oxidative-Hydrolytic Transformations of Organic Molecules; previous papers 29–31: see [1–3].     

Crystal structures of 4-(oxiran-2-ylmethoxy) benzoic acid and 4-acetoxybenzoic acid

Compounds 4-(oxiran-2-ylmethoxy)benzoic acid (2) and 4-acetoxybenzoic acid (4) are synthesized by a new synthetic route and studied by X-ray crystallography. Compound 2 crystallizes in the monoclinic system, P2₁/n space group, a = 5.1209(2) ?, b = 30.3429(16) ?, c = 5.9153(3) ?, β = 96.725(3)°, V = 912.81(8) ?³, Z = 4. Compound 4 crystallizes in the triclinic system, P-1 space group, a = 7.3400(4) ?, b = 8.0819(3) ?, c = 15.6548(9) ?, α = 85.754(3)°, β = 84.268(2)°, γ = 70.023(3)°, V = 867.63(8) ?³, Z = 4. The crystal structure of 2 comprises two crystallographically independent molecules of the compound. In the crystal structures of 2 and 4, pairs of molecules form carboxyl dimers.     

Rearrangements in the molecular ion of o-(methyl-d3-thio)benzoic Acid: Comparison with o-methoxy-d3-benzoic acid

Hydrogen/deuterium exchange and rearrangements in the molecular ion of o-(methyl-d₃-thio)benzoic acid lead to fragment ions [M? OD]⁺ as well as [M? OH]⁺ and m/z 106 and 107, just as in the molecular ion of o-methoxybenzoic acid. However, the fragment ion m/z 108 has the composition C₆H₄S rather than C₆H₂D₃CO as it does in the case of o-methoxy-d₃-benzoic acid. By varing the repeller potential at 10 eV (and thus the residence time in the ion source), the corresponding fragments are seen to be formed more slowly from the methylthio acid than from the methoxy acid, which leads to the conclusion that H/D exchange between carboxyl and labelled methylthio is slower than it is between carboxyl and labelled methoxyl.     

New polymer syntheses. LXVI. Copolyester of 4-hydroxybenzoic acid and 3-(4'-hydroxyphenoxy)benzoic acid or 4-(3'-hydroxyphenoxy)benzoic acid

Copolyesters of 4-hydroxybenzoic acid (HBA) and 3-(4'-hydroxyphenoxy)benzoic acid were prepared by two different procedures. Either the acetyl derivatives were polycondensed in bulk at temperatures up to 300°C or they were polycondensed in an inert reactions medium (Marlotherm-S) at 340°C. Two analogous series of copolyesters were synthesized from 4-acetoxybenzoic acid (4-HBA) and 4-(3'-acetoxyphenoxy)benzoic acid. The copolyesters were characterized by elemental analyses, inherent viscosities, ¹H- and ¹³C-NMR spectroscopy, WAXS and DSC measurements, and by optical microscopy. All copolyesters synthesized in solution were highly crystalline materials which were neither meltable nor soluble. Part of the copolyesters prepared by polycondensation in bulk were semi-crystalline, meltable, and soluble. The copolyester derived from 3-(4'-hydroxyphenoxy)benzoic acid proved to be thermotropic forming a nematic melt, whereas the isomeric copolyesters of 4-(3'-hydroxyphenoxy)benzoic acid only formed isotropic melts. © 1993 John Wiley & Sons, Inc.     

(O-Si)-Chelate acetic and benzoic acid N-(fluorosilylmethyl)amides: synthesis and structure

Russian Chemical Bulletin - New representatives of (O-Si)-chelate compounds, N-(fluorosilyl)methyl derivatives of N-methylacetamide, N-methylbenzamide, N-phenylacetamide, and N-phenylbenzamide,...     

Syntheses and Crystal Structures of Two Co(II) Coordination Polymers with 4,4'-(Hexafluoroisopropylidene)bis(benzoic acid)

Two new one-dimensional zigzag chain coordination polymers,[Co(hfipbb)(2,2'-bpy)(H2O)2]n 1 and [Co(hfipbb)(1,10-phen)(H2O)]n 2,have been synthesized under hydrother-mal reactions from CoCl2.6H2O,4,4'-(hexafluoroisopropylidene)bis(benzoic acid) and 2,2' -bipyridine or 1,10-phenanthroline ligands,respectively. Single-crystal X-ray analyses revealed that the zigzag chains of 1 and 2 are linked into three-dimensional supramolecular networks by both O-H···O hydrogen-bonds and π···π stacking interactions. Crystal data for 1:C27H20CoF6N2O6,Mr=641.38,orthorhombic,space group Pnna,a=9.3820(19),b=27.366(6),c=10.106(2) ,V=2594.8(9) 3,Z=4,Dc=1.642 g/cm3,F(000)=1300,μ=0.752 mm-1,R=0.0311 and wR=0.0924. Crystal data for 2:C29H18CoF6N2O5,Mr=647.38,monoclinic,space group P21/n,a=7.7626(16),b=29.446(6),c=11.281(2) ,β=93.98(3)°,V=2572.3(9) 3,Z=4,Dc=1.672 g/cm3,F(000)=1308,μ=0.757 mm-1,R=0.0403 and wR=0.0820.     

Crystal structure of thiogermanic acid H(4)Ge(4)S(10)

X-ray diffraction analysis reveals the thiogermanic acid H(4)Ge(4)S(10) possesses discrete adamantane-like Ge(4)S(10)(4)(-) complex anions. Each thioanion is composed of four corner shared GeS(2.5)(-) tetrahedral units. Crystals were grown from anhydrous liquid hydrogen sulfide reactions with glassy germanium sulfide at room temperature. The crystal structure was solved and refined from single crystal diffractometer data (Mo Kalpha radiation) obtained at 173 K. H(4)Ge(4)S(10) is triclinic, centrosymmetric space group Ponemacr;, with a = 8.621(4) A, b = 9.899(4) A, c = 10.009(4) A, alpha = 85.963(7) degrees, beta = 64.714(7) degrees, gamma = 89.501(8) degrees, and Z = 2. Average bridging and terminal d(Ge-S) distances are 2.229 and 2.206 A, respectively. Vibrational mode assignments are reported from Raman scattering and IR absorption spectra of polycrystalline samples. The nu(s)(Ge-S-Ge) and nu(s)(Ge-S(-)) stretching modes are observed at 354 and 405 cm(-)(1), respectively.     

Crystal structure of 2,2-dimethyl succinic acid.

The title compound crystallizes triclinically in space group of P1. The C2-COOH and C3-COOH molecular groups are planar. The crystal structure is stabilized by the formation of intermolecular (O-HO) hydrogen bonds.