scholarly journals Synthesis and structural characterization of hexa-μ2-chlorido-μ4-oxido-tetrakis{[4-(phenylethynyl)pyridine-κN]copper(II)} dichloromethane monosolvate

2021 ◽  
Vol 77 (1) ◽  
pp. 42-46
Author(s):  
Rayya A. Al Balushi ◽  
Muhammad S. Khan ◽  
Md. Serajul Haque Faizi ◽  
Ashanul Haque ◽  
Kieran Molloy ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Structural Characterization ◽  
Title Compound ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
The Core ◽  
Dimensional Network ◽  
Packing Arrangement

In the crystal structure of the title compound, [Cu4Cl6O(C13H9N)4]·CH2Cl2, the core molecular structure consists of a Cu4 tetrahedron with a central interstitial O atom. Each edge of the Cu4 tetrahedron is bridged by a chlorido ligand. Each copper(II) cation is coordinated to the central O atom, two chlorido ligands and one N atom of the 4-phenylethynylpyridine ligand. In the crystal, the molecules are linked by intermolecular C—H...Cl interactions. Furthermore, C—H...π and π–π interactions also connect the molecules, forming a three-dimensional network. Hirshfeld surface analysis indicates that the most important contributions for the packing arrangement are from H...H and C...H/H...C interactions.

Crystal and Molecular Structure of 3-Iodo-2-propynyl-N-butylcarbamate

1997 ◽  
Vol 52 (2) ◽  
pp. 256-258 ◽  
Author(s):  
Evgeni V. Avtomonov ◽  
Rainer Grüning ◽  
Jörg Lorberth
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Dimensional Network ◽  
Carbamate Group ◽  
Oxygen Atoms

Abstract The crystal structure of the title compound has been determined by X-ray diffraction methods. Due to the Lewis acidic character of the iodine substituent a “zig-zag” chain is formed via intermolecular interactions (2.933(4) A) between iodine and oxygen atoms of theocarbamate moiety. A three-dimensional network is formed through hydrogen-bridging (2.04 A) between NH-groups and the oxygen atoms of the neighbouring carbamate group of the next molecule.

scholarly journals Crystal structure and Hirshfeld surface analysis of 3,3′,3′′-[(1,3,5-triazine-2,4,6-triyl)tris(oxy)]tris(5,5-dimethylcyclohex-2-en-1-one)

2018 ◽  
Vol 74 (7) ◽  
pp. 1035-1038 ◽  
Author(s):  
Zeliha Atioğlu ◽  
Mehmet Akkurt ◽  
Flavien A. A. Toze ◽  
Gunay Z. Mammadova ◽  
Humay M. Panahova
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
Dihedral Angles ◽  
Methyl Groups ◽  
Triazine Ring ◽  
Compound C ◽  
Dimensional Network

The three cyclohexenone rings of the title compound, C27H33N3O6, adopt slightly distorted envelope conformations, with the C atom bearing two methyl groups as the flap atom in each case. These cyclohexenone mean planes form dihedral angles of 87.41 (11), 70.73 (11) and 70.47 (11)° with the 1,3,5-triazine ring, while the dihedral angle between the cyclohexenone mean planes are 57.52 (12), 23.75 (12) and 53.21 (12)°. In the crystal, molecules are linked via C—H...O hydrogen bonds, forming a three-dimensional network.

scholarly journals Crystal structure of 1-anilino-5-methyl-1H-1,2,3-triazole-4-carboxylic acid monohydrate

2019 ◽  
Vol 75 (6) ◽  
pp. 738-741 ◽  
Author(s):  
Olívia B. O. Moreira ◽  
Maria Clara R. Freitas ◽  
Karynne C. Souza ◽  
Alessandro K. Jordão ◽  
Jackson A. L. C. Resende
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Carboxylic Acid ◽  
Surface Analysis ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
Compound C

In the molecular structure of the title compound, C10H10N4O2·H2O, the angle between the triazole and arene rings is 87.39 (5)°. The water of crystallization connects the molecules in the crystal packing. The crystal structure exhibits N—H...O, O—H...O and O—H...N interactions, resulting in the formation of a three-dimensional framework. The intermolecular interactions were identified and quantified using Hirshfeld surface analysis.

scholarly journals Crystal structure of dichloridobis(1,3-diazinane-2-thione-κS)cadmium

2015 ◽  
Vol 71 (12) ◽  
pp. 1493-1496 ◽  
Author(s):  
Ghazala Naz ◽  
Muhammad Nawaz Tahir ◽  
Saeed Ahmad ◽  
Anvarhusein A. Isab ◽  
Mohammed Fettouhi
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Network Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Chloride Ions ◽  
Bond Angles ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network

In the structure of the title compound, [CdCl2(C4H8N2S)2], the CdIIatom is coordinated by two chloride ions and two 1,3-diazinane-2-thione (Diaz) molecules through their S atoms. The geometry around the CdIIatom is distorted tetrahedral, with bond angles in the range 101.55 (7)–117.91 (8)°. The CH2groups of one Diaz ligand are disordered over two sets of sites with an occupancy ratio of 0.711 (12):0.289 (12). The molecular structure is stabilized by intramolecular N—H...Cl hydrogen-bonding interactions, generating a butterflysynconformation. Intermolecular N—H...Cl and N—H...S interactions lead to the formation of a three-dimensional network structure. The structure has been determined from a crystal twinned by nonmerohedry, by a 180° rotation around the reciprocalcaxis. The twin ratio refined to 0.8866 (6):0.1134 (6).

scholarly journals Crystal structure and Hirshfeld surface analysis of 4,5-dibromo-2-(4-methoxyphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-4,6-epoxy-1H-cyclopenta[c]pyridin-1-one

2021 ◽  
Vol 77 (5) ◽  
pp. 532-536
Author(s):  
Dmitriy F. Mertsalov ◽  
Nataliya S. Surina ◽  
Elena A. Sorokina ◽  
Sevim Türktekin Çelikesir ◽  
Mehmet Akkurt ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Membered Ring ◽  
Hirshfeld Surface ◽  
Van Der Waals Interactions ◽  
Double Layers ◽  
Compound C ◽  
Dimensional Network

The molecule of the title compound, C15H15Br2NO3, comprises a fused tricyclic system consisting of two five-membered rings (cyclopentane and tetrahydrofuran) and one six-membered ring (tetrahydropyridinone). Both five-membered rings of the tricyclic system have envelope conformations, and the conformation of the six-membered cycle is intermediate between chair and half-chair. In the crystal, the molecules are linked by C—H...O hydrogen bonds and C—H...π, C—Br...π and C...O interactions into double layers. The layers are connected into a three-dimensional network by van der Waals interactions.

scholarly journals Synthesis, crystal structure and Hirshfeld surface of bis(2-aminopyridinium) hexachloridostannate(IV)

2020 ◽  
Vol 76 (8) ◽  
pp. 1279-1283
Author(s):  
Rochdi Ghallab ◽  
Mehdi Boutebdja ◽  
George Dénès ◽  
Hocine Merazig
Keyword(s):  
Crystal Structure ◽  
Raman Spectrum ◽  
Hydrogen Bonds ◽  
Thermal Behaviour ◽  
Title Compound ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
Hirshfeld Surfaces ◽  
Dimensional Network ◽  
Molecular Salt

In the title molecular salt, (C5H7N2)2[SnCl6], the cation is protonated at the pyridine N atom and the complete dianion is generated by a crystallographic centre of symmetry. In the crystal, N—H...Cl hydrogen bonds link the components into a three-dimensional network built up from the stacking of alternate cationic and anionic layers. The nature of the intermolecular interactions has been analysed in terms of the Hirshfeld surfaces of the cations and the anions. The thermal behaviour and the Raman spectrum of the title compound are reported.

scholarly journals Crystal structure of bis[1,3,4,5-tetramethyl-1H-imidazole-2(3H)-thione-κS]chloridocopper(I)

2014 ◽  
Vol 70 (12) ◽  
pp. m397-m398 ◽  
Author(s):  
Ulrich Flörke ◽  
Aziza Ahmida ◽  
Hans Egold ◽  
Gerald Henkel
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Coordination Geometry ◽  
Axis Direction ◽  
Dimensional Network ◽  
Centrosymmetric Dimers

The molecular structure of the title compound, [CuCl(C7H12N2S)2], shows a slightly distorted trigonal–planar coordination geometry of the Cu atom. The Cu—Cl bond measures 2.2287 (9) Å, and the two Cu—S bonds are significantly different from each other, with values of 2.2270 (10) and 2.2662 (10) Å. Also, the S—Cu—Cl angles differ, with values of 113.80 (4) and 124.42 (4)°, while the S—Cu—S angle is 121.51 (4)°. The two imidazole rings are almost parallel, making a dihedral angle of 2.1 (2)°. In the crystal, the shortest C—H...Cl interactions stabilize a three-dimensional network with molecules linked into centrosymmetric dimers that are stacked along theb-axis direction.

scholarly journals Crystal structure and Hirshfeld surface analysis of bis[hydrazinium(1+)] hexafluoridosilicate: (N2H5)2SiF6

2019 ◽  
Vol 75 (10) ◽  
pp. 1507-1510
Author(s):  
Ali Ouasri ◽  
Fatima Lambarki ◽  
Ali Rhandour ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Surface Analysis ◽  
Silicon Atom ◽  
Title Compound ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
Two Dimensional ◽  
Dimensional Network ◽  
Molecular Salt

In the title inorganic molecular salt, (N2H5)2SiF6, the silicon atom at the centre of the slightly distorted SiF6 octahedron [range of Si—F distances = 1.6777 (4)–1.7101 (4) Å] lies on a crystallographic inversion centre. In the crystal, the ions are connected by N—H...N and N—H...F hydrogen bonds; the former link the cations into [010] chains and the latter (some of which are bifurcated or trifurcated) link the ions into a three-dimensional network. The two-dimensional fingerprint plots show that F...H/H...F interactions dominate the Hirshfeld surface (75.5%) followed by H...H (13.6%) and N...H/H...N (8.4%) whereas F...F (1.9%) and F...N/N...F (0.6%) have negligible percentages. The title compound is isostructural with its germanium-containing analogue.

scholarly journals Crystal structure and Hirshfeld surface analysis of 1,3-bis{2,2-dichloro-1-[(E)-phenyldiazenyl]ethenyl}benzene

2021 ◽  
Vol 77 (8) ◽  
pp. 814-818
Author(s):  
Namiq Q. Shikhaliyev ◽  
Zeliha Atioğlu ◽  
Mehmet Akkurt ◽  
Nigar E. Ahmadova ◽  
Rizvan K. Askerov ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Surface Analysis ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Dihedral Angles ◽  
Compound C ◽  
Dimensional Network

In the molecule of the title compound, C22H14Cl4N4, the central benzene ring makes dihedral angles of 77.03 (9) and 81.42 (9)° with the two approximately planar 2,2-dichloro-1-[(E)-phenyldiazenyl]vinyl groups. In the crystal, molecules are linked by C—H...π, C—Cl...π, Cl...Cl and Cl...H interactions, forming a three-dimensional network. The Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H...H (30.4%), C...H/H...C (20.4%), Cl...H/H...Cl (19.4%), Cl...Cl (7.8%) and Cl...C/C...Cl (7.3%) interactions.

scholarly journals Bis(μ-L-arginine-κ3N2,O:O′)bis(L-arginine-κ2N2,O)tetra-μ-chlorido-tetrachloridotetracopper(II)

2013 ◽  
Vol 69 (11) ◽  
pp. m583-m584 ◽  
Author(s):  
P. Arularasan ◽  
B.Sivakumar ◽  
G. Chakkaravarthi ◽  
R. Mohan
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Dimensional Network ◽  
Cl Atoms

The title compound, [Cu4Cl8(C6H14N4O2)4], contains four molecules in the asymmetric unit. In the molecular structure, each of the four Cu2+ions binds to three Cl atoms, one N atom and one O atom, resulting in distorted square-pyramidal coordination environments. The molecular structure is stabilized by weak C—H...O and N—H...Cl hydrogen bonds. The crystal structure exhibit weak intermolecular N—H...O, C—H...O and N—H...Cl interactions, generating a three-dimensional network.

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