Synthesis, crystal structures, and magnetic properties of cobalt(II) and nickel(II) complexes of 2,2′-bipyridine-6,6′-dicarboxylate: three three-dimensional networks formed via hydrogen bonding interactions

2010 ◽  
Vol 36 (1) ◽  
pp. 53-58 ◽  
Author(s):  
Jin-Zhong Gu ◽  
Dong-Yu Lv ◽  
Zhu-Qing Gao ◽  
Jian-Zhao Liu ◽  
Wei Dou
Keyword(s):  
Magnetic Properties ◽  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Three Dimensional ◽  
Hydrogen Bonding Interactions

scholarly journals Crystal structures of chlorido[dihydroxybis(1-iminoethoxy)]arsanido-κ3 N,As,N′]platinum(II) and of a polymorph of chlorido[dihydroxybis(1-iminopropoxy)arsanido-κ3 N,As,N′]platinum(II)

2020 ◽  
Vol 76 (2) ◽  
pp. 180-185
Author(s):  
Nina R. Marogoa ◽  
D.V. Kama ◽  
Hendrik G. Visser ◽  
M. Schutte-Smith
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Three Dimensional ◽  
Donor Ligands ◽  
Intermolecular Hydrogen Bonding ◽  
Π Interactions ◽  
Hydrogen Bonding Interactions ◽  
Oxygen Donor ◽  
Dimensional Network

Each central platinum(II) atom in the crystal structures of chlorido[dihydroxybis(1-iminoethoxy)arsanido-κ3 N,As,N′]platinum(II), [Pt(C4H10AsN2O4)Cl] (1), and of chlorido[dihydroxybis(1-iminopropoxy)arsanido-κ3 N,As,N′]platinum(II), [Pt(C6H14AsN2O4)Cl] (2), is coordinated by two nitrogen donor atoms, a chlorido ligand and to arsenic, which, in turn, is coordinated by two oxygen donor ligands, two hydroxyl ligands and the platinum(II) atom. The square-planar and trigonal–bipyramidal coordination environments around platinum and arsenic, respectively, are significantly distorted with the largest outliers being 173.90 (13) and 106.98 (14)° for platinum and arsenic in (1), and 173.20 (14)° and 94.20 (9)° for (2), respectively. One intramolecular and four classical intermolecular hydrogen-bonding interactions are observed in the crystal structure of (1), which give rise to an infinite three-dimensional network. A similar situation (one intramolecular and four classical intermolecular hydrogen-bonding interactions) is observed in the crystal structure of (2). Various π-interactions are present in (1) between the platinum(II) atom and the centroid of one of the five-membered rings formed by Pt, As, C, N, O with a distance of 3.7225 (7) Å, and between the centroids of five-membered (Pt, As, C, N, O) rings of neighbouring molecules with distances of 3.7456 (4) and 3.7960 (6) Å. Likewise, weak π-interactions are observed in (2) between the platinum(II) atom and the centroid of one of the five-membered rings formed by Pt, As, C, N, O with a distance of 3.8213 (2) Å, as well as between the Cl atom and the centroid of a symmetry-related five-membered ring with a distance of 3.8252 (12) Å. Differences between (2) and the reported polymorph [Miodragović et al. (2013). Angew. Chem. Int. Ed. 52, 10749–10752] are discussed.

scholarly journals Crystal structures and the Hirshfeld surface analysis of (E)-4-nitro-N′-(o-chloro, o- and p-methylbenzylidene)benzenesulfonohydrazides

2018 ◽  
Vol 74 (12) ◽  
pp. 1710-1716
Author(s):  
Akshatha R. Salian ◽  
Sabine Foro ◽  
B. Thimme Gowda
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Structural Parameters ◽  
Three Dimensional ◽  
Monoclinic Crystal ◽  
Torsion Angles ◽  
Axis Direction ◽  
Hydrogen Bonding Interactions ◽  
Torsional Angles

The crystal structures of (E)-N′-(2-chlorobenzylidene)-4-nitrobenzenesulfonohydrazide, C13H10ClN3O4S (I), (E)-N′-(2-methylbenzylidene)-4-nitrobenzenesulfonohydrazide, C14H13N3O4S (II), and (E)-N′-(4-methylbenzylidene)-4-nitrobenzenesulfonohydrazide monohydrate, C14H13N3O4S·H2O (III), have been synthesized, characterized and their crystal structures determined to study the effects of the nature and sites of substitutions on the structural parameters and the hydrogen-bonding interactions. All three compounds crystallize in the monoclinic crystal system, with space group P21 for (I) and P21/c for (II) and (III). Compound (III) crystallizes as a monohydrate. All three compounds adopt an E configuration around the C=N bond. The molecules are bent at the S atom with C—S—N—N torsion angles of −59.0 (3), 58.0 (2) and −70.2 (1)° in (I), (II) and (III), respectively. The sulfonohydrazide parts are also non-linear, as is evident from the S—N—N—C torsional angles of 159.3 (3), −164.2 (1) and 152.3 (1)° in (I), (II) and (III), respectively, while the hydrazide parts are almost planar with the N—N=C—C torsion angles being −179.1 (3)° in (I), 176.7 (2)° in (II) and 175.0 (2)° in (III). The 4-nitro-substituted phenylsulfonyl and 2/4-substituted benzylidene rings are inclined to each other by 81.1 (1)° in (I), 81.4 (1)° in (II) and 74.4 (1)° in (III). The compounds show differences in hydrogen-bonding interactions. In the crystal of (I), molecules are linked via N—H...O hydrogen bonds, forming C(4) chains along the a-axis direction that are interconnected by weak C—H...O hydrogen bonds, generating layers parallel to the ac plane. In the crystal of (II), the amino H atom shows bifurcated N—H...O(O) hydrogen bonding with both O atoms of the nitro group generating C(9) chains along the b-axis direction. The chains are linked by weak C—H...O hydrogen bonds, forming a three-dimensional framework. In the crystal of (III), molecules are linked by Ow—H...O, N—H...Ow and C—H...O hydrogen bonds, forming layers lying parallel to the bc plane. The fingerprint plots generated for the three compounds show that for (I) and (II) the O...H/H...O contacts make the largest contributions, while for the para-substituted compound (III), H...H contacts are the major contributors to the Hirshfeld surfaces.

scholarly journals New Mononuclear Mn(III) Complexes with Hydroxyl-Substituted Hexadentate Schiff Base Ligands

2021 ◽  
Vol 7 (1) ◽  
pp. 12
Author(s):  
Peng-Yu Xu ◽  
Yu-Ting Wang ◽  
Zong-Mei Yu ◽  
Yong-Hua Li ◽  
Shi Wang
Keyword(s):  
Magnetic Properties ◽  
Hydrogen Bonding ◽  
Schiff Base ◽  
Crystal Structures ◽  
Schiff Base Ligand ◽  
High Spin State ◽  
Close Packing ◽  
Schiff Base Complexes ◽  
Schiff Base Ligands ◽  
Hydrogen Bonding Interactions

This paper reports the syntheses, crystal structures and magnetic properties of Mn(III) hexadentate Schiff base complexes [Mn(4-OH-sal-N-1,5,8,12)]NO3(1) and [Mn(4-OH-sal-N-1,5,8,12)]ClO4(2), where (4-OH-sal-N-1,5,8,12)2− (4,4′-((1E,13E)-2,6,9,13-tetraazatetradeca-1,13-diene-1,14-diyl)bis(3-methoxyphenol) is a new hydroxyl-substituted hexadentate Schiff base ligand. The introduction of the (4-OH-sal-N-1,5,8,12)2− ligand induces more hydrogen bonding interactions, in addition to promoting the formation of intermolecular interactions among the cations. However, the close-packing structures of both complexes lead to their stabilization in the high-spin state in the temperature range of 2−300 K.

Self-Assembly of Organo-Sulfur, Selenium and Tellurium Compounds via π-π-Stacking and Hydrogen Bonding Interactions

2002 ◽  
Vol 57 (10) ◽  
pp. 1115-1119 ◽  
Author(s):  
Berthold Kersting
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Network Structure ◽  
Self Assembly ◽  
Three Dimensional ◽  
Carbonyl Oxygen ◽  
Selenium Compounds ◽  
Hydrogen Bonding Interactions ◽  
Π Stacking ◽  
Dimensional Network

AbstractThe crystal structures of 2-isopropyl-benzisothiazol-3-one-7-carboxylicacid isopropyl amide and of the corresponding selenium and tellurium derivatives have been determined. In contrast to the sulfur and selenium compounds, the tellurium derivative has an unprecedented three-dimensional network structure held together via π-π stacking and hydrogen bonding interactions. The cavities in the 3D molecular network are filled with guestwater molecules that are hydrogen bonded to carbonyl oxygen atoms.

scholarly journals Three new supramolecular networks formed via hydrogen bonding interactions: Syntheses, crystal structures and magnetic properties

2008 ◽  
Vol 361 (1) ◽  
pp. 173-182 ◽  
Author(s):  
Jian-Qiang Liu ◽  
Yao-Yu Wang ◽  
Lu-Fang Ma ◽  
Wei-Hong Zhang ◽  
Xi-Rui Zeng ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Hydrogen Bonding Interactions ◽  
Supramolecular Networks

scholarly journals Crystal structures of 4,4′-(disulfane-1,2-diyl)bis(5-methyl-2H-1,3-dithiol-2-one) and 4,4′-(diselanane-1,2-diyl)bis(5-methyl-2H-1,3-dithiol-2-one)

2018 ◽  
Vol 74 (6) ◽  
pp. 840-845 ◽  
Author(s):  
Ivan Trentin ◽  
Claudia Schindler ◽  
Carola Schulzke
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Carbonyl Oxygen ◽  
The Other ◽  
Torsion Angles ◽  
Cell Parameters ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network

The two title compounds, C8H6O2S6and C8H6O2S4Se2, are isotypic with very similar cell parameters. The complete molecules constitute the asymmetric units, despite being chemically perfectly symmetric. The most prominant differences in the metrical parameters arise from the distinct sizes of sulfur and selenium in the dichalcogenide bridges, with C—S—S—C and C—Se—Se—C torsion angles of 70.70 (5) and 68.88 (3)°, respectively. The crystal packing is determined by weak non-classical hydrogen-bonding interactions. One carbonyl oxygen but not the other participates in C—H...O interactions zigzagging along thebaxis, forming infinite chains. This is complemented by an intramolecular C—H...S interaction and further intermolecular C—H...S (C—H...Se) interactions, resulting in a three-dimensional network. The interactions involving the bridging chalcogenides form chains protruding along thecaxis.

Crystal structures of [18]aneN6H2K[Co(CN)6].4H2O, [16]aneN4H2K[Co(CN)6] and [12]aneN4H3[Co(CN)6].2H2O. Insight into the electrostatic and hydrogen-bonding interaction in self-assembling supercomplexes

1999 ◽  
Vol 55 (3) ◽  
pp. 389-395 ◽  
Author(s):  
Ping Zhou ◽  
Feng Xue ◽  
Steve C. F. Au-Yeung ◽  
Xiao-ping Xu
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Three Dimensional ◽  
Potassium Dihydrogen ◽  
Coulombic Interactions ◽  
Self Assembling ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Zeolite Type ◽  
A Chain

The crystal structures of [18]aneN6H2K[Co(CN)6].4H2O [potassium dihydrogen hexacyanocobaltate–1,4,7,10,13,16-hexaazacyclooctadecane–water (1/1/4)], [16]aneN4H2K[Co(CN)6] [potassium dihydrogen hexacyanocobaltate–1,5,9,13-tetraazacyclohexadecane (1/1)] and [12]aneN4H3[Co(CN)6].2H2O [trihydrogen hexacyanocobaltate–1,4,7,10-tetraazacyclododecane–water (1/1/2)] have been determined. For these supercomplexes, the [Co(CN)6]3− binding with protonated polyammonium macrocycles is dominant in the binding competition between K+ and [Co(CN)6]3−. It is suggested that the binding of [Co(CN)6]3− with protonated polyammonium macrocycles is independent of the cavity size of the macrocycle, whereas that of K+ is size-match selective. For [18]aneN6H2K[Co(CN)6].4H2O, the formation of a two-dimensional lamella may be derived from a chain-like arrangement of four-, five- and eight-membered rings in the network through the mutual balance between electrostatic and hydrogen-bonding interactions. [16]aneN4H2K[Co(CN)6] is a novel example demonstrating the anchoring of cobalticyanide through hydrogen-bonding interactions inside a zeolite-type cavity in the three-dimensional network formed by K+ and the macrocycles through Coulombic interactions. Also, a three-dimensional network was formed mainly through hydrogen-bonding interactions between [Co(CN)6]3−, protonated macrocycles and water molecules in [12]aneN4H3[Co(CN)6].2H2O.

scholarly journals Crystal structures of bis[4-(dimethylamino)pyridinium] tetrakis(thiocyanato-κN)manganate(II) and tris[4-(dimethylamino)pyridinium] pentakis(thiocyanato-κN)manganate(II)

2018 ◽  
Vol 74 (1) ◽  
pp. 15-20
Author(s):  
Tristan Neumann ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Negative Charge ◽  
Three Dimensional ◽  
Anionic Complex ◽  
Asymmetric Unit ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Anionic Complexes ◽  
Pyridinium Cations

The crystal structures of the title salts, (C7H11N2)2[Mn(NCS)4] (1) and (C7H11N2)3[Mn(NCS)5] (2), consist of manganese(II) cations that are tetrahedrally (1) or trigonal–bipyramidally (2) coordinated to four or five terminal N-bonded thiocyanate ligands, respectively, into discrete anionic complexes. The negative charge is compensated by two (1) or three (2) 4-(dimethylamino)pyridinium cations, which are protonated at the pyridine N atom. The asymmetric unit of compound1consists of one anionic complex and two 4-(dimethylamino)pyridinium cations, whereas that of compound2consists of two anionic complexes and six 4-(dimethylamino)pyridinium cations, all of them located in general positions. These complexes are linked by N—H...S, C—H...S and C—H...N hydrogen-bonding interactions between the 4-(dimethylamino)pyridinium cations and the thiocyanate ligands into three-dimensional network structures.

scholarly journals Bis(nitrilotriacetamide-κ4 N,O,O′,O′′)silver(I) nitrate

IUCrData ◽  
2018 ◽  
Vol 3 (1) ◽  
Author(s):  
Min Ren ◽  
Ming Yue ◽  
Jingwen Ran
Keyword(s):  
Hydrogen Bonding ◽  
Network Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network

In the centrosymmetric cation of the title compound, [Ag(C6H12N4O3)2]NO3, the AgI ion, lying on a threefold rotoinversion axis, is coordinated by two N atoms and six O atoms from two nitrilotriacetamide ligands, forming a distorted dodecahedral environment. In the crystal, cations and anions are linked through N—H...O hydrogen-bonding interactions, leading to a three-dimensional network structure.

scholarly journals A computational study on how structure influences the optical properties in model crystal structures of amyloid fibrils

2017 ◽  
Vol 19 (5) ◽  
pp. 4030-4040 ◽  
Author(s):  
Luca Grisanti ◽  
Dorothea Pinotsi ◽  
Ralph Gebauer ◽  
Gabriele S. Kaminski Schierle ◽  
Ali A. Hassanali
Keyword(s):  
Optical Properties ◽  
Hydrogen Bonding ◽  
Proton Transfer ◽  
Crystal Structures ◽  
Amyloid Fibrils ◽  
Computational Study ◽  
Model Systems ◽  
Hydrogen Bonding Interactions ◽  
Model Crystal ◽  
Different Types

Different types of hydrogen bonding interactions that occur in amyloids model systems and molecular factors that control the susceptibility of the protons to undergo proton transfer and how this couples to the optical properties.

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