Synthesis and crystal structures of metal complexes with 4,5-imidazole-dicarboxylate chelates: self-assembled structures via NH⋯OC intermolecular hydrogen bonds

2004 ◽  
Vol 7 (11) ◽  
pp. 1191-1194 ◽  
Author(s):  
Emi Shimizu ◽  
Mitsuru Kondo ◽  
Yumiko Fuwa ◽  
Ram. P. Sarker ◽  
Makoto Miyazawa ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Metal Complexes ◽  
Crystal Structures ◽  
Intermolecular Hydrogen Bonds ◽  
Self Assembled ◽  
Imidazole Dicarboxylate

scholarly journals Metallkomplexe mit Guanidinderivaten als Liganden: Kristallstrukturen von [Zn(cnge)2(SCN)2] · 2H2O und Zn(eoge)Br2 (enge = Cyanoguanidin; eoge = 1-Ethoxyiminomethylguanidin) / Metal Complexes with Guanidine Derivatives as Ligands: Crystal Structures of [Zn(cnge)2(SCN)2]·2H2O und Zn(eoge)Br2 (cnge = Cyanoguanidine; eoge = 1-Ethoxyim inom ethylguanidine)

1996 ◽  
Vol 51 (10) ◽  
pp. 1469-1472 ◽  
Author(s):  
Joachim Pickardt ◽  
Britta Kühn
Keyword(s):  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Metal Complexes ◽  
Crystal Structures ◽  
Water Molecules ◽  
Monoclinic Space Group ◽  
Intermolecular Hydrogen Bonds ◽  
Crystal Water ◽  
Space Group ◽  
Guanidine Derivatives

Crystals of |Zn(cnge)2(SCN)2]-2H2O (1) were obtained by evaporation of an aqueous solution of Z n(SO4)·7H2O , KSCN, and cyanoguanidine. Crystals of Zn(eoge)Br2 (2) were obtained by reaction of ZnBr2 and cyanoguanidine in ethanol/water. Both compounds are monoclinic, space group C2/c, 1: Z = 4, a = 1919.6(7), b = 467.3(2), c = 1838.5(6) pm, β = 112.99(3)°, 2: Z = 8, a = 1799.5(6), b = 878.7(2), c = 1367.2(5) pm, β = 101.52(3)°. In 1 each Zn is bonded to two cyanoguanidine molecules and via the N atoms to two NCS groups. Intermolecular hydrogen bonds lead to chains along the a-axis, and these chains are again connected via hydrogen bonds to the two crystal water molecules. In the course of the formation of 2, the cyanoguanidine reacted with the ethanol to form 1-ethoxyiminomethylguanidine. This ligand forms chelate rings with the Zn atoms, which are tetrahedrally coordinated by the two imino N atoms of the ligand and by two bromine atoms.

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.

Mononuclear manganese(iii) complexes with reduced imino nitroxide radicals by single-electron transfer and intermolecular hydrogen bonds as an intramolecular structural driving force

2019 ◽  
Vol 48 (35) ◽  
pp. 13378-13387 ◽  
Author(s):  
Constance Lecourt ◽  
Warren Madanamoothoo ◽  
Vivian Ferreol ◽  
Nicolas Bélanger-Desmarais ◽  
Lhoussain Khrouz ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Driving Force ◽  
Nitroxide Radical ◽  
Single Electron ◽  
Single Electron Transfer ◽  
Nitroxide Radicals ◽  
Intermolecular Hydrogen Bonds ◽  
Imino Nitroxide

One-electron transfer from Mn(ii) ions to an imino nitroxide radical gives mononuclear Mn(iii) complexes of the reduced amino imine-oxide form for which crystal structures evidence hydrogen bonds networks acting as a stabilizing driving-force.

The Crystal Structures of 2-(3’-Hydroxypropyl)benzimidazolium Hexa- and Tetrachloroplatinate

2005 ◽  
Vol 60 (2) ◽  
pp. 164-168 ◽  
Author(s):  
A. Elmali ◽  
Y. Elerman ◽  
G. Eren ◽  
F. Gümüş ◽  
I. Svoboda
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Monoclinic Space Group ◽  
Intermolecular Hydrogen Bonds ◽  
Triclinic Space Group ◽  
Space Group

2-(3’-Hydroxypropyl)benzimidazolium (Hhpb) hexa- and tetrachloroplatinate (C10H13N2O)2·[PtCl6] 1 and (C10H13N2O)2·[PtCl4] 2 were synthesized and their crystal structures determined. Compound 1 is monoclinic, space group P21/n, a = 8.800(1), b = 14.389(2), c = 10.264(2) Å, β = 98.540(10)°, V = 1285.3(3) Å3, Z = 2 and Dc = 1.959 g cm−3. Compound 2 is triclinic, space group P1̄, a=7.8480(10), b=9.0460(10), c=9.6980(10) Å ,α =65.420(10), β =68.810(10), γ = 76.770(1)°,V =581.26(4) Å3, Z =1 and Dc =1.969 g cm−3. In both compounds, the Pt atoms reside at a centre of inversion. Compounds 1 and 2 are comprised of 2-(3’-hydroxypropyl)benzimidazolium (Hhpb)+: (C10H12N2O)+ and [PtCl6]2− and [PtCl4]2− ions, respectively, linked by intermolecular hydrogen bonds N...Cl [range from 3.428(3) to 3.584(4) Å ], N···O [2.769(5) Å ] and O···Cl [3.338(4) and 3.321(3) Å ] for 1, and N···Cl [3.162(7) Å ], N···O [2.749(8) Å ] and O···Cl [3.289(6) Å ] for 2.

Heterocyclic Tautomerism. II. 4-Acylpyrazolones. X-Ray Crystal Structures of 4-Benzoyl-5-methyl-2-phenylpyrazol-3(2H)-one and 4-Acetoacetyl-3-methyl-1-phenylpyrazol-5-ol

1985 ◽  
Vol 38 (3) ◽  
pp. 401 ◽  
Author(s):  
MJ O'Connell ◽  
CG Ramsay ◽  
PJ Steel
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Room Temperature ◽  
Crystalline Form ◽  
Intermolecular Hydrogen Bonds ◽  
Intramolecular Hydrogen Bonds ◽  
X Ray ◽  
Intramolecular Hydrogen

The colourless crystalline form of the benzoylpyrazolone (2) has molecules with the NH structure (2c) stabilized by intermolecular hydrogen bonds. At room temperature crystals are monoclinic: P21/c, a 13.508(5), b 9.124(4), c 11.451(3)Ǻ, β 90.80(3)°, Z4; the structure was refined to R 0.059, Rw 0.048. The acetoacetylpyrazolone (3) has the OH structure (3c) with two intramolecular hydrogen bonds. At 193 K crystals are triclinic: Pī , a 7.142(2), b 13.704(8), c 14.699(7)Ǻ, α 117.36(3), β 96.87(3), γ 93.73(3)°, Z 4; the structure was refined to R 0.049, Rw 0.054.

scholarly journals Crystal structures of two dimeric nickel diphenylacetate complexes

2019 ◽  
Vol 75 (11) ◽  
pp. 1768-1773 ◽  
Author(s):  
A. A. Nikiforov ◽  
D. O. Blinou ◽  
E. N. Dubrov ◽  
N. S. Panina ◽  
A. I. Ponyaev ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Intermolecular Hydrogen Bonds ◽  
Diphenylacetic Acid ◽  
Aromatic Systems ◽  
Bipyridine Ligand ◽  
Chelating Effect

In the crystal structures of the title compounds, namely μ-aqua-κ2 O:O-di-μ-diphenylacetato-κ4 O:O′-bis[(diphenylacetato-κO)bis(pyridine-κN)nickel(II)], [Ni2(C14H11O2)4(C5H5N)4(H2O)] (1) and μ-aqua-κ2 O:O-di-μ-diphenylacetato-κ4 O:O′-bis[(2,2′-bipyridine-κ2 N,N′)(diphenylacetato-κO)nickel(II)]–acetonitrile–diphenylacetic acid (1/2.5/1), [Ni2(C14H11O2)4(C10H8N2)2(H2O)]·2.5CH3CN·C14H12O2 (2), the complex units are stabilized by a variety of intra- and intermolecular hydrogen bonds, as well as C—H...π and π–π contacts between the aromatic systems of the pyridine, dipyridyl and diphenylacetate ligands. Despite the fact that the diphenylacetate ligand is sterically bulky, this does not interfere with the formation of the described aqua-bridged dimeric core, even with a 2,2′-bipyridine ligand, which has a strong chelating effect.

Crystal structures of two 4-bromopyrazole derivatives

1999 ◽  
Vol 214 (4) ◽  
Author(s):  
C. Foces-Foces ◽  
A. L. Llamas-Saiz ◽  
J. Elguero
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Three Dimensional ◽  
Intermolecular Hydrogen Bonds ◽  
Dimensional Network

AbstractThe crystal structures of 4-bromopyrazole and 3,5-dimethyl-4-bromopyrazole have been determined. The molecules are linked by N–H···N intermolecular hydrogen bonds giving rise to trimers and catemers, which are in turn connected by weak C–H···Br contacts to form a three-dimensional network.

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