scholarly journals Bis(μ2-N-methyl-N-phenyldithiocarbamato)-κ3S,S′:S;κ3S:S,S′-bis[(N-methyl-N-phenyldithiocarbamato-κ2S,S′)cadmium]: crystal structure and Hirshfeld surface analysis

2017 ◽  
Vol 73 (3) ◽  
pp. 429-433 ◽  
Author(s):  
Siti Aisyah Nabilah Suwardi ◽  
See Mun Lee ◽  
Kong Mun Lo ◽  
Mukesh M. Jotani ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structure ◽  
Surface Analysis ◽  
Title Compound ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
Coordination Geometry ◽  
Centrosymmetric Dimer ◽  
Π Interactions ◽  
Trigonal Bipyramidal ◽  
Dimensional Network

The title compound, [Cd2(C8H8NS2)4], is a centrosymmetric dimer with both chelating and μ2-tridentate dithiocarbamate ligands. The resulting S5donor set defines a CdIIcoordination geometry intermediate between square-pyramidal and trigonal–bipyramidal, but tending towards the former. The packing features C—H...S and C—H...π interactions, which generate a three-dimensional network. The influence of these interactions, along with intra-dimer π–π interactions between chelate rings, has been investigated by an analysis of the Hirshfeld surface.

scholarly journals trans-Dichloridobis(dimethyl sulfoxide-κO)bis(4-fluorobenzyl-κC1)tin(IV): crystal structure and Hirshfeld surface analysis

2017 ◽  
Vol 73 (5) ◽  
pp. 667-672 ◽  
Author(s):  
Nur Adibah Binti Mohd Amin ◽  
Rusnah Syahila Duali Hussen ◽  
See Mun Lee ◽  
Nathan R. Halcovitch ◽  
Mukesh M. Jotani ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Dimethyl Sulfoxide ◽  
Surface Analysis ◽  
Three Dimensional ◽  
Molecular Packing ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Coordination Geometry ◽  
Π Interactions ◽  
Dimensional Network

The SnIVatom in the title diorganotin compound, [Sn(C7H6F)2Cl2(C2H6OS)2], is located on a centre of inversion, resulting in the C2Cl2O2donor set having an all-transdisposition of like atoms. The coordination geometry approximates an octahedron. The crystal features C—H...F, C—H...Cl and C—H...π interactions, giving rise to a three-dimensional network. The respective influences of the Cl...H/H...Cl and F...H/H...F contacts to the molecular packing are clearly evident from the analysis of the Hirshfeld surface.

scholarly journals catena-Poly[[trimethyltin(IV)]-μ-3,4-difluorobenzeneseleninato-κ2O:O′]

IUCrData ◽  
2017 ◽  
Vol 2 (10) ◽  
Author(s):  
Chunhua Fu ◽  
Rufen Zhang ◽  
Mao Yan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Sodium Ethoxide ◽  
Three Dimensional ◽  
Coordination Environment ◽  
Π Interactions ◽  
Trigonal Bipyramidal ◽  
Dimensional Network ◽  
Trimethyltin Chloride

The title compound, [Sn(CH3)3(C6H3F2O2Se)]n, was prepared by treatment of 3,4-difluorobenzeneseleninic acid and trimethyltin chloride with sodium ethoxide in methanol. In the polymeric crystal structure, infinite chains, with the SnIVatom in a trigonal–bipyramidal C3O2coordination environment involving methyl ligands and the bridging 3,4-difluorobenzeneseleninate anion, are present. The chains extend parallel to [010] and are linked through slipped π–π interactions and weak C—H...O hydrogen bonds into a three-dimensional network.

scholarly journals Crystal structure and Hirshfeld surface analysis of (Z)-4-(4-hydroxybenzylidene)-3-methylisoxazol-5(4H)-one

2018 ◽  
Vol 74 (7) ◽  
pp. 926-930
Author(s):  
Wissem Zemamouche ◽  
Rima Laroun ◽  
Noudjoud Hamdouni ◽  
Ouarda Brihi ◽  
Ali Boudjada ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Surface Analysis ◽  
Title Compound ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
Π Interactions ◽  
Compound C ◽  
Hirshfeld Surfaces

The title compound, C11H9NO3, contains an isoxazole and a hydroxybenzylidene ring, which are inclined to each another by 3.18 (8)°. There is an intramolecular C—H...O contact forming an S(7) ring. In the crystal, molecules stack head-to-tail in columns along the b-axis direction, linked by offset π–π interactions [intercentroid distances of 3.676 (1) and 3.723 (1) Å]. The columns are linked by O—H...O and O—H...N hydrogen bonds, forming layers parallel to the ab plane. The layers are linked by C—H...O hydrogen bonds, forming a supramolecular three-dimensional framework. An analysis of the Hirshfeld surfaces points to the importance of the O—H...O and O—H...N hydrogen bonding in the packing mechanism of the crystal structure.

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 1-{(E)-[(2E)-3-(4-Methoxyphenyl)-1-phenylprop-2-en-1-ylidene]amino}-3-phenylurea: crystal structure and Hirshfeld surface analysis

2017 ◽  
Vol 73 (11) ◽  
pp. 1607-1611 ◽  
Author(s):  
Ming Yueh Tan ◽  
Karen A. Crouse ◽  
Thahira B. S. A. Ravoof ◽  
Mukesh M. Jotani ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Surface Analysis ◽  
Title Compound ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
Compound C ◽  
Dimensional Network ◽  
Dimeric Aggregates

The title compound, C23H21N3O2, is constructed about an almost planar disubstituted aminourea residue (r.m.s. deviation = 0.0201 Å), which features an intramolecular amine-N—H...N(imine) hydrogen bond. In the `all-trans' chain connecting this to the terminal methoxybenzene residue, the conformation about each of the imine and ethylene double bonds isE. In the crystal, amide-N—H...O(carbonyl) hydrogen bonds connect centrosymmetrically related molecules into dimeric aggregates, which also incorporate ethylene-C—H...O(amide) interactions. The dimers are linked by amine–phenyl-C—H...π(imine–phenyl) and methoxybenzene-C—H...π(amine–phenyl) interactions to generate a three-dimensional network. The importance of C—H...π interactions in the molecular packing is reflected in the relatively high contributions made by C...H/H...C contacts to the Hirshfeld surface,i.e. 31.6%.

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.

scholarly journals Crystal structure of 4-chloro-2-{(E)-[(3,4-dimethylphenyl)imino]methyl}phenol

2015 ◽  
Vol 71 (6) ◽  
pp. o416-o416 ◽  
Author(s):  
Muhammad Salim ◽  
Muhammad Nawaz Tahir ◽  
Munawar Ali Munawar ◽  
Muhammad Shahid ◽  
Hazoor Ahmad Shad
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Aromatic Rings ◽  
Acta Cryst ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

In the title compound, C15H14ClNO, which is isostructural with its bromo analogue [Tahiret al.(2012).Acta Cryst., E68, o2730], the dihedral angle between the planes of the aromatic rings is 2.71 (7)° and an intramolecular O—H...N hydrogen bond closes anS(6) ring. In the crystal, extremely weak C—H...π interactions link the molecules into a three-dimensional network.

scholarly journals Diisonicotinium pentachloridoantimonate(III) monohydrate

2009 ◽  
Vol 65 (6) ◽  
pp. m683-m683 ◽  
Author(s):  
Li-Zhuang Chen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Coordination Geometry ◽  
Compound C ◽  
Dimensional Network

In the title compound, (C6H6NO2)2[SbCl5]·H2O, the SbIIIatom exhibits a distorted square-pyramidal coordination geometry. The crystal structure is stabilized by intermolecular N—H...Cl, N—H...O, O—H...Cl and O—H...O hydrogen bonds, forming an extended three-dimensional network.

scholarly journals Bis(1,10-phenanthrolin-1-ium) tetrachloridozincate monohydrate

2014 ◽  
Vol 70 (2) ◽  
pp. m53-m53 ◽  
Author(s):  
E. Govindan ◽  
Subramani Thirumurugan ◽  
Ayyakannu Sundaram Ganeshraja ◽  
Krishnamoorthy Anbalagan ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

In the crystal structure of the title compound, (C12H9N2)2[ZnCl4]·H2O, the two independent 1,10-phenanthrolinium cations are bridged by the water molecule and the tetrahedral tetrachloridozincate anionviaN—H...O, O—H...Cl and N—H...Cl hydrogen bonds, forming chains along [100]. The chains are linkedviaC—H...Cl hydrogen bonds and a number of π–π interactions [centroid–centroid distances vary from 3.5594 (14) to 3.7057 (13) Å], forming a three-dimensional network. In each 1,10-phenanthrolinium cation, there is a short N—H...N interaction.

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