Crystal structures of discrete, one-dimensional and cocrystalline copper(ii)–uranyl(vi) systems: the influence of the reactant ratio in the competition between hydrogen bonds and coordinate bonds

CrystEngComm ◽  
2013 ◽  
Vol 15 (47) ◽  
pp. 10374 ◽  
Author(s):  
Sagarika Bhattacharya ◽  
Arpita Jana ◽  
Sasankasekhar Mohanta
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Reactant Ratio ◽  
One Dimensional

Polysulfonylamine, CLXXXIX [1]. Weitere Beispiele für die O-Protonierung von Harnstoffen mit Di(organosulfonyl)aminen: Bildung und Kristallstrukturen von 1,1-Dimethyluroniumdi( 4-fluorbenzolsulfonyl)amid und Di(1-methylharnstoff)- hydrogen(I)-di(4-fluorbenzolsulfonyl)amid/ Polysulfonylamines, CLXXXIX. Additional Examples of the O-Protonation of Ureas by Di(organosulfonyl)amines: Formation and Crystal Structures of 1,1-Dimethyluronium Di(4-fluorobenzenesulfonyl)amide and Di(1-methylurea)hydrogen(I)Di(4-fluorobenzenesulfonyl) amide

2010 ◽  
Vol 65 (11) ◽  
pp. 1363-1371 ◽  
Author(s):  
Christoph Wölper ◽  
Alejandra Rodríguez-Gimeno ◽  
Katherine Chulvi Iborra ◽  
Peter G. Jones ◽  
Armand Blaschette
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Petroleum Ether ◽  
Crystal Structures ◽  
Monoclinic Space Group ◽  
One Dimensional ◽  
Bond Lengths ◽  
Ionic Compounds ◽  
Specific Elongation

Co-crystallization of N-methyl-substituted ureas with di(organosulfonyl)amines, (RSO2)2NH, leads unpredictably to either molecular co-crystals or, via proton transfer, to uronium salts. As a sequel to former reports, this communication describes the formation and the crystal structures of the new ionic compounds 1,1-dimethyluronium di(4-fluorobenzenesulfonyl)amide (1, monoclinic, space group P21/c, Z´ = 1) and di(1-methylurea)hydrogen(I) di(4-fluorobenzenesulfonyl)amide (2, triclinic, P1̄, Z´ = 1); both salts were obtained from dichloromethane/petroleum ether. In the structure of 2, the urea moieties of the cationic homoconjugate are connected by a very short [O-H· · ·O]+ hydrogen bond [d(O· · ·O) = 244.6(2) pm, θ (O-H· · ·O)≈170°, bridging H atom asymmetrically disordered over two positions]. The O-protonation induces a specific elongation of the C-O bond lengths to 131.2(2) pm in 1 or 129.5(2) and 127.4(2) pm in 2, as compared to literature data of ca. 126 pm for the unprotonated ureas. Both crystal structures are dominated by conventional two- and threecentre hydrogen bonds, which involve the OH and all NH donors and give rise to one-dimensional cation-anion arrays. In particular, the ionic entities of 1 are alternatingly associated into simple chains propagated by glide-plane operations parallel to the c axis, whereas the donor-richer structure of 2 displays inversion symmetric dimers of formula units, which are further hydrogen-bonded into strands propagated by translation parallel to the a axis.

scholarly journals Topological study of diverse hydrogen-bonded patterns found in a system of a nickel(II) complex and the sulfate anion

2018 ◽  
Vol 74 (3) ◽  
pp. 351-359
Author(s):  
Miguel Angel Harvey ◽  
Sebastián Suarez ◽  
Pavel N. Zolotarev ◽  
Davide M. Proserpio ◽  
Ricardo Baggio
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Three Dimensional ◽  
Sulfate Anion ◽  
One Dimensional ◽  
Space Groups ◽  
Striking Resemblance ◽  
The Third ◽  
Reference Framework ◽  
Hydrogen Bonded

A nickel(II) coordination complex, bis[2,6-bis(1H-benzimidazol-2-yl-κN3)pyridine-κN]nickel(II) sulfate, [Ni(C19H13N5)2]SO4or [Ni(H2L)2]SO4, having four peripheral tetrahedrally oriented N—H donor units, combines with sulfate bridges to create hydrogen-bonded structures of varied dimensionality. The three crystal structures reported herein in the space groupsP212121,I\overline{4} andPccnare defined solely by strong charge-assisted N—H...O hydrogen bonds and contain disordered guests (water and dimethylformamide) that vary in size, shape and degree of hydrophilicity. Two of the compounds are channelled solids with three-dimensional structures, while the third is one-dimensional in nature. In spite of their differences, all three present a striking resemblance to the previously reported anhydrous relative [Guoet al.(2011).Chin. J. Inorg. Chem.27, 1517–1520], which is considered as the reference framework from which all three title compounds are derived. The hydrogen-bonded frameworks are described and compared using crystallographic and topological approaches.

Structural differences/similarities of diastereotopic groups in three new chiral phosphoramides

2021 ◽  
Vol 77 (4) ◽  
pp. 186-196
Author(s):  
Negin Lal Zakaria ◽  
Mehrdad Pourayoubi ◽  
Mahsa Eghbali Toularoud ◽  
Michal Dušek ◽  
Eliska Skorepova
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Crystal Packing ◽  
Mirror Image ◽  
Solution Nmr ◽  
Chiral Amine ◽  
One Dimensional ◽  
Nmr Study ◽  
Structural Differences ◽  
Phosphoric Triamide

The crystal structures of two single-enantiomer amidophosphoesters with an (O)2P(O)(N) skeleton and one single-enantiomer phosphoric triamide with an (N)2P(O)(N) skeleton were studied. The compounds are diphenyl [(R)-(+)-α-4-dimethylbenzylamido]phosphate, (I), and diphenyl [(S)-(−)-α-4-dimethylbenzylamido]phosphate, (II), both C21H22NO3P, and N-(2,6-difluorobenzoyl)-N′,N′′-bis[(R)-(+)-α-ethylbenzyl]phosphoric triamide, C25H28F2N3O2P, (III). The asymmetric units contain two amidophosphoester molecules for (I) and (II), and one phosphoric triamide molecule for (III). In the crystal structures of (I) and (II), molecules are assembled in a similar one-dimensional chiral ribbon architecture, but with almost a mirror-image relationship with respect to each other through N—H...O(P) and C—H...O(P) hydrogen bonds along [010]. In the crystal structure of (III), the chiral tape architecture along [100] is mediated by N—H...O(P) and N—H...O(C) hydrogen bonds, and the tapes are connected into slabs by C—H...O interactions (along the ab plane). The differences/similarities of the two diastereotopic phenoxy groups in (I)/(II) and the two chiral amine fragments in (III) were studied on the grounds of geometry, conformation and contribution to the crystal packing, as well as 1H and 13C signals in a solution NMR study.

scholarly journals Crystal structures of threeN-aryl-2,2,2-tribromoacetamides

2015 ◽  
Vol 71 (9) ◽  
pp. 1048-1053 ◽  
Author(s):  
S. Sreenivasa ◽  
S. Naveen ◽  
N. K. Lokanath ◽  
G. M. Supriya ◽  
H. N. Lakshmikantha ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
One Dimension ◽  
Supramolecular Architecture ◽  
Two Dimensional ◽  
One Dimensional

ThreeN-aryl-2,2,2-tribromoacetamides, namely, 2,2,2-tribromo-N-(2-fluorophenyl)acetamide, C8H5Br3FNO, (I), 2,2,2-tribromo-N-[3-(trifluoromethyl)phenyl]acetamide, C9H5Br3F3NO, (II) and 2,2,2-tribromo-N-(4-fluorophenyl)acetamide, C8H5Br3FNO, (III) were synthesized and their crystal structures were analysed. In the crystal structure of (I), C—Br...πarylinteractions connect the molecules into dimers, which in turn are connectedviaBr...Br contacts [3.6519 (12) Å], leading to the formation of a one-dimensional ladder-type architecture. The crystal structure of (II) features chains linked by N—H...O and C—H...O hydrogen bonds. Two such chains are interlinked to form ribbons through Br...Br [3.6589 (1) Å] and Br...F [3.0290 (1) Å] interactions. C—Br...πaryland C—F...πarylinteractions between the ribbons extend the supramolecular architecture of (II) from one dimension to two. In (III), the molecules are connected intoR22(8) dimersviapairs of C—H...F interactions and these dimers form ribbons through Br...Br [3.5253 (1) Å] contacts. The ribbons are further interlinked into columnsviaC—Br...O=C contacts, forming a two-dimensional architecture.

scholarly journals Crystal structures of isomeric 3,5-dichloro-N-(2,3-dimethylphenyl)benzenesulfonamide, 3,5-dichloro-N-(2,6-dimethylphenyl)benzenesulfonamide and 3,5-dichloro-N-(3,5-dimethylphenyl)benzenesulfonamide

2017 ◽  
Vol 73 (5) ◽  
pp. 673-677 ◽  
Author(s):  
K. Shakuntala ◽  
S. Naveen ◽  
N. K. Lokanath ◽  
P. A. Suchetan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Molecular Conformation ◽  
Three Dimensional ◽  
Aromatic Rings ◽  
One Dimensional ◽  
Π Interactions ◽  
Hydrogen Bonded

The crystal structures of three isomeric compounds of formula C14H13Cl2NO2S, namely 3,5-dichloro-N-(2,3-dimethylphenyl)-benzenesulfonamide (I), 3,5-dichloro-N-(2,6-dimethylphenyl)benzenesulfonamide (II) and 3,5-dichloro-N-(3,5-dimethylphenyl)benzenesulfonamide (III) are described. The molecules of all the three compounds are U-shaped with the two aromatic rings inclined at 41.3 (6)° in (I), 42.1 (2)° in (II) and 54.4 (3)° in (III). The molecular conformation of (II) is stabilized by intramolecular C—H...O hydrogen bonds and C—H...π interactions. The crystal structure of (I) features N—H...O hydrogen-bondedR22(8) loops interconnectedvia C(7) chains of C—H...O interactions, forming a three-dimensional architecture. The structure also features π–π interactions [Cg...Cg= 3.6970 (14) Å]. In (II), N—H...O hydrogen-bondedR22(8) loops are interconnectedviaπ–π interactions [intercentroid distance = 3.606 (3) Å] to form a one-dimensional architecture running parallel to theaaxis. In (III), adjacentC(4) chains of N—H...O hydrogen-bonded molecules running parallel to [010] are connectedviaC—H...π interactions, forming sheets parallel to theabplane. Neighbouring sheets are linkedviaoffset π–π interactions [intercentroid distance = 3.8303 (16) Å] to form a three-dimensional architecture.

scholarly journals Crystal structures of 4-methoxy-N-(4-methylphenyl)benzenesulfonamide andN-(4-fluorophenyl)-4-methoxybenzenesulfonamide

2015 ◽  
Vol 71 (11) ◽  
pp. 1388-1391
Author(s):  
Vinola Z. Rodrigues ◽  
C. P. Preema ◽  
S. Naveen ◽  
N. K. Lokanath ◽  
P. A. Suchetan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Dihedral Angle ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Supramolecular Architecture ◽  
One Dimensional ◽  
Ring Form ◽  
Benzene Rings

Crystal structures of twoN-(aryl)arylsulfonamides, namely, 4-methoxy-N-(4-methylphenyl)benzenesulfonamide, C14H15NO3S, (I), andN-(4-fluorophenyl)-4-methoxybenzenesulfonamide, C13H12FNO3S, (II), were determined and analyzed. In (I), the benzenesulfonamide ring is disordered over two orientations, in a 0.516 (7):0.484 (7) ratio, which are inclined to each other at 28.0 (1)°. In (I), the major component of the sulfonyl benzene ring and the aniline ring form a dihedral angle of 63.36 (19)°, while in (II), the planes of the two benzene rings form a dihedral angle of 44.26 (13)°. In the crystal structure of (I), N—H...O hydrogen bonds form infiniteC(4) chains extended in [010], and intermolecular C—H...πarylinteractions link these chains into layers parallel to theabplane. The crystal structure of (II) features N—H...O hydrogen bonds forming infinite one dimensionalC(4) chains along [001]. Further, a pair of C—H...O intermolecular interactions consolidate the crystal packing of (II) into a three-dimensional supramolecular architecture.

Polysulfonylamine, CXCII [1]. Polynäre Verbindungen aus Di(4-fluorbenzolsulfonyl) amin (FAH), 1,1,3-Trimethylharnstoff (TrMU) und Dimethylamin (Me2NH): Bildung und Strukturen des Cokristalls FAH·TrMU (Z′ = 1), des Salzes Me2NH2 +·FA– (Z′ = 6) und des Salz-Cokristalls FAH·TrMU·Me2NH2 +·FA– (Z′ = 1). Bemerkungen zur Oxophobie von C–F-Gruppen in Kristallstrukturen / Polysulfonylamines, CXCII. Polynary Compounds Based upon Di(4-fluorobenzenesulfonyl)amine (FAH), 1,1,3-Trimethylurea (TrMU) and Dimethylamine (Me2NH): Formation and Structures of the Cocrystal FAH·TrMU (Z′ = 1), the Salt Me2 NH2 +·FA− (Z′ = 6) and the Salt Cocrystal FAH·TrMU·Me2NH2 +·FA− (Z′ = 1). Comments on the Oxophobia of C–F Groups in Crystal Structures

2011 ◽  
Vol 66 (11) ◽  
pp. 1161-1174
Author(s):  
Christoph Wölper ◽  
Alejandra Rodríguez-Gimeno ◽  
Katherine Chulvi Iborra ◽  
Ina Dix ◽  
Matthias Freytag ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Petroleum Ether ◽  
Crystal Structures ◽  
Hydrolysis Reaction ◽  
Formula Unit ◽  
Halogen Bonds ◽  
Ionic Polymer ◽  
One Dimensional ◽  
Independent Unit ◽  
Salt Component

Cocrystallization of di(4-fluorobenzenesulfonyl)amine, (4-F-C6H4SO2)2NH (= FAH), with 1,3,3- trimethylurea (TrMU) from dichloromethane/petroleum ether afforded the molecular cocrystal FAH・TrMU (1, monoclinic, P21/n, Z′ = 1) and the salt cocrystal FAH・TrMU・Me2NH2+・FA− (2, monoclinic, P21, Z′ = 1). The minor product 2 resulted from a hydrolysis reaction of TrMU and was obtained by serendipity. The salt component of 2, Me2NH2+・FA− (3, monoclinic, C2, Z′ = 6), was prepared by metathesis of [Me2NH2]Cl with Ag[FA] and is not isomorphous to its previously reported congeners Me2NH2+・(4-X-C6H4SO2)2N− (4 - 7 for X = Cl, Br, I or Me, all monoclinic, Cc, Z′ = 1). The three new structures display one-dimensional arrays (catemers) based upon classical two- or three-centre hydrogen bonds that use N-H or N+-H groups as donors and S=O, C=O or N− groups as acceptors. In 1, the catemers consist of alternating FAH and TrMU molecules, in 3 of alternating Me2NH2+ and FA− ions (six independent formula units), in 2 of alternating Me2NH2+ and FA− ions (one independent unit) and FAH・ ・ ・ TrMU・ ・ ・ heterodimers acting as side-groups to the ionic polymer. The packings of 1 - 3 are completely devoid of short fluorine-oxygen contacts below the van derWaals limit, as are all the known crystal structures containing FAH or FA− entities (“oxophobia” of the C-F groups). The Z′ = 6 structure of 3 may be interpreted as a stratagem to avoid short F・ ・ ・O contacts, in contrast to the Z′ = 1 structures of 4 - 6, which exhibit hydrogen-bonded ion catemers similar to the catemer of 3, and two halogen bonds C-X・ ・ ・O=S per formula unit

scholarly journals 6-Bromo-2’-(2-chlorobenzylidene)nicotinohydrazide and 6-Bromo-2’-(3-bromo-5-chloro-2-hydroxybenzylidene) nicotinohydrazide Methanol Solvate: Synthesis, Characterization, Crystal Structures and Antimicrobial Activities

2021 ◽  
Vol 68 (1) ◽  
pp. 65-71
Author(s):  
Hai-Yun Zhu
Keyword(s):  
Hydrogen Bonds ◽  
Single Crystal ◽  
Crystal Structures ◽  
Antibacterial Agents ◽  
Spectroscopic Method ◽  
Antimicrobial Activities ◽  
One Dimensional ◽  
X Ray ◽  
Axis Direction

Two newly synthesized nicotinohydrazones, 6-bromo-2’-(2-chlorobenzylidene)nicotinohydrazide (1) and 6-bromo-2’-(3-bromo-5-chloro-2-hydroxybenzylidene)nicotinohydrazide methanol solvate (2), have been obtained and structurally characterized by spectroscopic method and single crystal X-ray determination. The molecules in both compounds are in E configuration regarding to the azomethine groups. The molecules of compound 1 are linked via hydrogen bonds of N−H∙∙∙O, generating one dimensional chains running along the c-axis direction. The hydrazone molecules of compound 2 are linked by methanol molecules via hydrogen bonds of N−H∙∙∙O and O−H∙∙∙N, generating dimers. The in vitro antimicrobial activities of these compounds indicate that they are interesting antibacterial agents.

Hydrogen-bonded 3D network of d10-metal halide coordination polymer containing N-(3-pyridinyl) nicotinamide: influence of ligand conformation, halide anions and solvent

CrystEngComm ◽  
2019 ◽  
Vol 21 (16) ◽  
pp. 2691-2701 ◽  
Author(s):  
Zahra Nezhadali Baghan ◽  
Alireza Salimi ◽  
Hossein Eshtiagh-Hosseini ◽  
Allen G. Oliver
Keyword(s):  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Coordination Polymers ◽  
Metal Halide ◽  
One Dimensional ◽  
Halide Anions ◽  
3D Network ◽  
D10 Metal ◽  
Ligand Conformation

The crystal structures of four new d10-metal halide coordination polymers are determined as one-dimensional (1D) zigzag chains which are in contact with each other by C/N–H⋯X (X = Cl, Br, I) hydrogen bonds.

Sign in / Sign up

Export Citation Format

Share Document