Intermolecular Interactions in the Crystal Chemistry ofN,N‘-Diphenylisophthalamide, Pyridine-2,6-dicarboxylic Acid Bisphenylamide, and Related Compounds

1997 ◽  
Vol 9 (12) ◽  
pp. 2983-2989 ◽  
Author(s):  
J. F. Malone ◽  
C. M. Murray ◽  
G. M. Dolan ◽  
R. Docherty ◽  
A. J. Lavery
Keyword(s):  
Dicarboxylic Acid ◽  
Intermolecular Interactions ◽  
Crystal Chemistry ◽  
Related Compounds

Crystal structures and Hirshfeld surface analysis of four 1,4-bis(methoxyphenyl)-2,3-diazabuta-1,3-dienes: comparisons of the intermolecular interactions in related compounds

2019 ◽  
Vol 234 (1) ◽  
pp. 59-71 ◽  
Author(s):  
Ligia R. Gomes ◽  
John N. Low ◽  
Nathasha R. de L. Correira ◽  
Thais C.M. Noguiera ◽  
Alessandra C. Pinheiro ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Intermolecular Interactions ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
Dimensional Structure ◽  
Intermolecular Hydrogen Bonds ◽  
Π Interactions ◽  
Isomeric Compound ◽  
Related Compounds

Abstract The crystal structures of four azines, namely 1-3-bis(4-methoxyphenyl)-2,3-diaza-1,4-butadiene, 1, 1,3-bis(2,3-dimethoxyphenyl)-2,3-diaza-1,4-butadiene, 2, 1,3-bis(2-hydroxy-3-methoxyphenyl)-2,3-diaza-1,4-butadiene, 3, and 1,3-bis(2-hydroxy-4-methoxyphenyl)-2,3-diaza-1,4-butadiene, 4, are reported. Molecules of 3 and 4, and both independent molecules of 2, Mol A and Mol B, possess inversion centers. The central C=N–N=C units in each molecule is planar with an (E,E) conformation. The intermolecular interactions found in the four compounds are C–H···O, C–H–N, C–H---π and π---π interactions. However, there is no consistent set of intermolecular interactions for the four compounds. Compound, 1, has a two-dimensional undulating sheet structure, generated from C–H···O and C–H···N intermolecular hydrogen bonds. The only recognized intermolecular interaction in 2 is a C–H···O hydrogen bond, which results in a zig-zag chain of alternating molecules, Mol A and Mol B. While 3 forms a puckered sheet of molecules, solely via C–H···π interactions, its isomeric compound, 4, has a more elaborate three-dimensional structure generated from a combination of C–H···O hydrogen bonds, C–H···π and π···π interactions. The findings in this study, based on both PLATON and Hirshfeld approaches, for the four representative compounds match well the reported structural findings in the literature of related compounds, which are based solely on geometric parameters.

Structure determination of Na3DySi6O15 and crystal chemistry of zektzerite related compounds

2004 ◽  
Vol 177 (12) ◽  
pp. 4777-4784 ◽  
Author(s):  
Abdellah Ziadi ◽  
Harald Hillebrecht ◽  
Gerhard Thiele ◽  
Brahim Elouadi
Keyword(s):  
Crystal Chemistry ◽  
Structure Determination ◽  
Related Compounds

Dissecting intermolecular interactions in the condensed phase of ibuprofen and related compounds: the specific role and quantification of hydrogen bonding and dispersion forces

2020 ◽  
Vol 22 (9) ◽  
pp. 4896-4904 ◽  
Author(s):  
V. N. Emel’yanenko ◽  
P. Stange ◽  
J. Feder-Kubis ◽  
S. P. Verevkin ◽  
R. Ludwig
Keyword(s):  
Hydrogen Bonding ◽  
Infrared Spectroscopy ◽  
Quantum Chemistry ◽  
Intermolecular Interactions ◽  
Condensed Phase ◽  
Specific Role ◽  
Dispersion Interaction ◽  
Dispersion Forces ◽  
Related Compounds

Hydrogen bonding and dispersion interaction in liquid ibuprofen is analyzed by thermodynamic methods, infrared spectroscopy and quantum chemistry.

scholarly journals Crystal Chemistry of Copper-Based Oxide Superconductors and Related Compounds

1991 ◽  
Vol 99 (1150) ◽  
pp. 435-442 ◽  
Author(s):  
Takahiro WADA ◽  
Ataru ICHINOSE ◽  
Hisao YAMAUCHI ◽  
Shoji TANAKA
Keyword(s):  
Crystal Chemistry ◽  
Oxide Superconductors ◽  
Related Compounds

scholarly journals Reduced 3,4′-bipyrazoles carrying thiophene and thiazole substituents: structures of two intermediates and two products

2021 ◽  
Vol 77 (4) ◽  
pp. 335-340
Author(s):  
Chayanna Harish Chinthal ◽  
Hemmige S. Yathirajan ◽  
Nagaraja Manju ◽  
Balakrishna Kalluraya ◽  
Sabine Foro ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Intermolecular Interactions ◽  
Cycloaddition Reactions ◽  
Independent Components ◽  
Analogous Compound ◽  
A Chain ◽  
Related Compounds ◽  
Centrosymmetric Dimers

Cycloaddition reactions between 3-(5-aryloxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1-(thiophen-2-yl)prop-2-en-1-ones and thiosemicarbazide leads to the formation of reduced 3,4′-bipyrazole-2-carbothioamides. Further cycloaddition of these intermediates with either diethyl acetylenedicarboxylate or 4-bromophenacyl bromide leads to reduced 3,4′-bipyrazoles carrying oxothiazole or thiazole substituents, respectively. The structures of two representative intermediates and two representative products established unambiguously the regiochemistry of the cycloaddition reactions. The molecules of 3′-methyl-5′-(2-methylphenoxy)-1′-phenyl-5-(thiophen-2-yl)-3,4-dihydro-1′H,2H-3,4′-bipyrazole-2-carbothioamide, C25H23N5OS2 (Ia), are linked by N—H...N hydrogen bonds to form simple C(8) chains. The analogous compound 5′-(2,4-dichlorophenoxy)-3′-methyl-1′-phenyl-5-(thiophen-2-yl)-3,4-dihydro-1′H,2H-3,4′-bipyrazole-2-carbothioamide hemihydrate crystallizes as a hemihydrate, C24H19Cl2N5OS2·0.5H2O (Ib), and the independent components are linked into a chain of spiro-fused R 4 4(20) rings by a combination of O—H...N and N—H...O hydrogen bonds. In the structure of ethyl (Z)-2-{2-[3′-methyl-1′-phenyl-5-(thiophen-2-yl)-5′-(2-methylphenoxy)-3,4-dihydro-1′H,2H-3,4′-bipyrazole-2-yl]-4-oxo-4,5-dihydrothiazol-5-ylidene}acetate, C31H27N5O4S2 (II), inversion-related pairs of molecules are linked by paired C—H...π(arene) hydrogen bonds to form cyclic centrosymmetric dimers, but there are no direction-specific intermolecular interactions in 4-(4-bromophenyl)-2-[5′-(2,4-dichlorophenoxy)-3′-methyl-1′-phenyl-5-(thiophen-2-yl)-3,4-dihydro-1′H,2H-3,4′-bipyrazole-2-yl]-4-thiazole, C32H22BrCl2N5OS2 (III). Comparisons are made with the structures of some related compounds.

Sign in / Sign up

Export Citation Format

Share Document