scholarly journals Crystal structure and Hirshfeld surface analysis of [2-(1H-benzimidazol-2-yl-κN 3)aniline-κN]dichloridozinc(II) N,N-dimethylformamide monosolvate

2021 ◽  
Vol 77 (5) ◽  
pp. 491-494
Author(s):  
Mohd Muslim ◽  
Md. Serajul Haque Faizi ◽  
Arif Ali ◽  
Mohd Afzal ◽  
Musheer Ahmad ◽  
...  
Keyword(s):  
Complex Molecule ◽  
Zinc Ion ◽  
Bidentate Ligand ◽  
Hirshfeld Surface ◽  
Monoclinic Crystal System ◽  
Asymmetric Unit ◽  
Neutral Complex ◽  
Monoclinic Crystal ◽  
Tetrahedral Geometry ◽  
Distorted Tetrahedral Geometry

The title compound, [ZnCl2(C13H11N3)]·C3H7NO, crystallized in the monoclinic crystal system in space group P21/n. The asymmetric unit contains one neutral complex molecule, which consists of a zinc ion, a bidentate ligand, and two chlorido ligands with dimethylformamide monosolvate. The ligand has two moieties, a benzimidazole and an aniline group. The benzimidazole and aniline planes are not coplanar, subtending a dihedral angle of 18.24 (8)°. The Zn(II) ion shows distorted tetrahedral geometry, being coordinated by an imidazole N atom, the aniline N atom, and two chlorido ligands. The packing features N—H...O, N—H...Cl, C—H...Cl hydrogen bonding.

scholarly journals Dichlorido(2,2′-methylenedipyridine)zinc(II)

IUCrData ◽  
2019 ◽  
Vol 4 (1) ◽  
Author(s):  
Adam Siegfried ◽  
Brett McAbee ◽  
Vladimir Zotov ◽  
Colin McMillen ◽  
Timothy Hanks
Keyword(s):  
Hydrogen Bonds ◽  
Single Molecule ◽  
Crystal Packing ◽  
Bidentate Ligand ◽  
Title Complex ◽  
Zinc Atom ◽  
Asymmetric Unit ◽  
Tetrahedral Geometry ◽  
Π Interactions ◽  
Distorted Tetrahedral Geometry

The title complex, [ZnCl2(C11H10N2)], crystallizes in the P21/c space group with di-2-pyridylmethane acting as a bidentate ligand coordinating the zinc atom in a distorted tetrahedral geometry. The asymmetric unit consists of a single molecule of the title complex. The title complex folds with an angle of 53.82 (5)° between the planes of the two pyridine rings. The crystal packing is stabilized by hydrogen bonds and π–π interactions involving both pyridine rings.

Effect of Hydrated Metal Salts on the Coordination Product of Cobalt(II) halide and PNP Type Ligand, 2,6-bis(di-tertbutylphosphinomethyl) pyridine

2018 ◽  
Author(s):  
Tasneem Siddiquee ◽  
Abdul Goni
Keyword(s):  
Metal Salts ◽  
Molar Ratio ◽  
Pincer Complexes ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
Pincer Ligand ◽  
Tetrahedral Geometry ◽  
X Ray ◽  
Distorted Tetrahedral Geometry ◽  
Cobalt Center

Chemical treatment of CoX<sub>2</sub><b><sup>. </sup></b>6H<sub>2</sub>O (X = Cl, Br, I) with the potentially tridentate PNP pincer ligand 2,6-bis(di-<i>tert</i>-butylphosphinomethyl)pyridine in 1:1 molar ratio results in cobalt(II) halide-PNP pincer complexes. The effect of the hydrated metal source on molecular structure and geometry of the complexes was studied by single crystal X-ray diffraction analysis. The complexes are neutral and the cobalt center adopts a penta-coordinate system with potential atropisomerization. Within the unit cell there are two distinct molecules per asymmetric unit. One of the two phosphorus atoms in the PNP ligand was observed to be partially oxidized to phosphinoxide. Disorder in the structure reflects a mixture of square pyramidal and distorted tetrahedral geometry.

scholarly journals Bis(N′-{(E)-[(2E)-1,3-diphenylprop-2-en-1-ylidene]amino}-N-ethylcarbamimidothioato-κ2N′,S)zinc(II): crystal structure and Hirshfeld surface analysis

2017 ◽  
Vol 73 (7) ◽  
pp. 1001-1008 ◽  
Author(s):  
Ming Yueh Tan ◽  
Karen A. Crouse ◽  
Thahira B. S. A. Ravoof ◽  
Mukesh M. Jotani ◽  
Edward R. T. Tiekink
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Tetrahedral Geometry ◽  
Π Interactions ◽  
Distorted Tetrahedral Geometry ◽  
Hirshfeld Surfaces ◽  
Phenyl Rings ◽  
The Impact ◽  
Dimeric Aggregates

The title ZnIIcomplex, [Zn(C18H18N3S)2], (I), features two independent but chemically equivalent molecules in the asymmetric unit. In each, the thiosemicarbazonate monoanion coordinates the ZnIIatomviathe thiolate-S and imine-N atoms, with the resulting N2S2donor set defining a distorted tetrahedral geometry. The five-membered ZnSCN2chelate rings adopt distinct conformations in each independent molecule,i.e.one ring is almost planar while the other is twisted about the Zn—S bond. In the crystal, the two molecules comprising the asymmetric unit are linked by amine-N—H...N(imine) and amine-N—H...S(thiolate) hydrogen bondsviaan eight-membered heterosynthon, {...HNCN...HNCS}. The dimeric aggregates are further consolidated by benzene-C—H...S(thiolate) interactions and are linked into a zigzag supramolecular chain along thecaxisviaamine-N—H...S(thiolate) hydrogen bonds. The chains are connected into a three-dimensional architectureviaphenyl-C—H...π(phenyl) and π–π interactions, the latter occurring between chelate and phenyl rings [inter-centroid separation = 3.6873 (11) Å]. The analysis of the Hirshfeld surfaces calculated for (I) emphasizes the different interactions formed by the independent molecules in the crystal and the impact of the π–π interactions between chelate and phenyl rings.

scholarly journals [N,N′-Bis(2,6-diethyl-4-phenylphenyl)butane-2,3-diimine-κ2N,N′]dibromidonickel(II)

2014 ◽  
Vol 70 (3) ◽  
pp. m102-m102
Author(s):  
Jianchao Yuan ◽  
Jingjing Xia ◽  
Weibing Xu ◽  
Yanqiong Mu
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Mirror Symmetry ◽  
Complex Molecule ◽  
Mirror Plane ◽  
Tetrahedral Geometry ◽  
Distorted Tetrahedral Geometry ◽  
Benzene Rings ◽  
Diimine Ligand

The complex molecule in the title compound, [NiBr2(C36H40N2)], has mirror symmetry. The NiIIatom and two Br atoms are located on the mirror plane. The NiIIatom is four-coordinated by the two Br atoms and two N atoms from anN,N′-bis(2,6-diethyl-4-phenylphenyl)butane-2,3-diimine ligand in a distorted tetrahedral geometry. The dihedral angle formed between the two adjacent benzene rings is 47.1 (1)°.

scholarly journals Bis(2-amino-3-methylpyridine-κN1)dichloridomercury(II)

2012 ◽  
Vol 68 (8) ◽  
pp. m1099-m1099 ◽  
Author(s):  
Azadeh Tadjarodi ◽  
Keyvan Bijanzad ◽  
Behrouz Notash
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Rotation Axis ◽  
Complex Molecule ◽  
Tetrahedral Geometry ◽  
Distorted Tetrahedral Geometry

In the title compound, [HgCl2(C6H8N2)2], the two independent HgIIcations are each located on a twofold rotation axis and coordinated by two pyridine N atoms from two 2-amino-3-methylpyridine ligands and two Cl−anions in a distorted tetrahedral geometry. An intramolecular N—H...Cl hydrogen bond occurs in each independent complex molecule. Intermolecular N—H...Cl hydrogen bonds occur in the crystal structure.

scholarly journals Crystal structures and Hirshfeld surface analyses of bis[N,N-bis(2-methoxyethyl)dithiocarbamato-κ2S,S′]di-n-butyltin(IV) and [N-(2-methoxyethyl)-N-methyldithiocarbamato-κ2S,S′]triphenyltin(IV)

2018 ◽  
Vol 74 (3) ◽  
pp. 302-308 ◽  
Author(s):  
Rapidah Mohamad ◽  
Normah Awang ◽  
Nurul Farahana Kamaludin ◽  
Mukesh M. Jotani ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structures ◽  
Metal Atom ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
Molecular Structures ◽  
Site Symmetry ◽  
Tetrahedral Geometry ◽  
Twofold Axis ◽  
Distorted Tetrahedral Geometry ◽  
Crystal And Molecular Structures

The crystal and molecular structures of the two title organotin dithiocarbamate compounds, [Sn(C4H9)2(C7H14NO2S2)2], (I), and [Sn(C6H5)3(C5H10NOS2)], (II), are described. Both structures feature asymmetrically bound dithiocarbamate ligands leading to a skew-trapezoidal bipyramidal geometry for the metal atom in (I) and a distorted tetrahedral geometry in (II). The complete molecule of (I) is generated by a crystallographic twofold axis (Sn site symmetry 2). In the crystal of (I), molecules self-assemble into a supramolecular array parallel to (10-1)viamethylene-C—H...O(methoxy) interactions. In the crystal of (II), supramolecular dimers are formedviapairs of weak phenyl-C—H...π(phenyl) contacts. In each of (I) and (II), the specified assemblies connect into a three-dimensional architecture without directional interactions between them. Hirshfeld surface analyses confirm the importance of H...H contacts in the molecular packing of each of (I) and (II), and in the case of (I), highlight the importance of short methoxy-H...H(butyl) contacts between layers.

scholarly journals Bis(2,9-dimethyl-1,10-phenanthroline)copper(I) pentacyanidonitrosoferrate(II)

2013 ◽  
Vol 69 (12) ◽  
pp. m684-m685 ◽  
Author(s):  
Julia A. Rusanova ◽  
Olesia V. Kozachuk ◽  
Valentyna V. Semenaka ◽  
Viktoriya V. Dyakonenko
Keyword(s):  
Stacking Interactions ◽  
Coordination Geometry ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Tetrahedral Geometry ◽  
Distorted Octahedral Coordination ◽  
Distorted Tetrahedral Geometry ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Phenanthroline Ligands

The asymmetric unit of the title complex [Cu(C14H12N2)2]2[Fe(CN)5(NO)], consists of a [Cu(dmp)2]+cation (dmp is 2,9-dimethyl-1,10-phenanthroline) and half an [Fe(CN)5(NO)]2−anion. The anion is disordered across an inversion center with the FeIIion slightly offset (ca0.205Å) from the inversion center in the direction of the disorderedtrans-coordinating CN/NO ligands. The anion has a distorted octahedral coordination geometry. The CuIion is coordinated by two phenanthroline ligands in a distorted tetrahedral geometry. The dihedral angle between the phenanthroline ligands is 77.16 (4) Å. In the crystal, the cations are connected to the anions by weak C—H...N hydrogen bonds. In addition, weak π–π stacking interactions are observed, with centroid–centroid distances in the range 3.512 (3)–3.859 (3) Å.

1-Ethyl-4,4,6,8-tetramethyl-2-tosyl-2,3,3a,4,6,7,8,9-octahydro-1H-pyrrolo[3,4-c]pyrano[6,5-d]pyrimidine-7,9-dione

2007 ◽  
Vol 63 (11) ◽  
pp. o4434-o4435 ◽  
Author(s):  
K. Chinnakali ◽  
D. Sudha ◽  
M. Jayagopi ◽  
R. Raghunathan ◽  
Hoong-Kun Fun
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Pyrrolidine Ring ◽  
Tetrahedral Geometry ◽  
Torsion Angles ◽  
Distorted Tetrahedral Geometry ◽  
Compound C ◽  
Tosyl Group ◽  
Independent Molecules

The asymmetric unit of the title compound, C22H29N3O5S, contains two independent molecules, A and B, which differ slightly in the orientation of the ethyl and tosyl groups with respect to the attached pyrrolidine ring, as evidenced by the relevant torsion angles. In both molecules, the pyrrolidine and dihydropyran rings adopt envelope conformations, and are trans-fused. In molecule A, the tosyl group is equatorially attached to the pyrrolidine ring, whereas in B it is in a biaxial position. The pyrrolidine N atom exhibits sp 2 hybridization in molecule A and sp 3 hybridization in molecule B. In both molecules, the sulfonyl group has a distorted tetrahedral geometry. In the crystal structure, the molecules are linked into a three-dimensional framework by C—H...O hydrogen bonds.

scholarly journals Crystal structure of di-n-butylbis(η5-pentamethylcyclopentadienyl)hafnium(IV)

2015 ◽  
Vol 71 (2) ◽  
pp. m19-m20
Author(s):  
Perdita Arndt ◽  
Kathleen Schubert ◽  
Vladimir V. Burlakov ◽  
Anke Spannenberg ◽  
Uwe Rosenthal
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Component Ratio ◽  
Diffraction Experiment ◽  
Asymmetric Unit ◽  
Tetrahedral Geometry ◽  
Bond Lengths ◽  
Distorted Tetrahedral Geometry ◽  
Independent Molecules

The crystal structure of the title compound, [Hf(C10H15)2(C4H9)2], reveals two independent molecules in the asymmetric unit. The diffraction experiment was performed with a racemically twinned crystal showing a 0.529 (5):0.471 (5) component ratio. Each HfIVatom is coordinated by two pentamethylcyclopentadienyl and twon-butyl ligands in a distorted tetrahedral geometry, with the cyclopentadienyl rings inclined to one another by 45.11 (15) and 45.37 (16)°. In contrast to the isostructural di(n-butyl)bis(η5-pentamethylcyclopentadienyl)zirconium(IV) complex with a noticeable difference in the Zr–butyl bonding, the Hf—Cbutylbond lengths differ from each other by no more than 0.039 (3) Å.

scholarly journals Crystal structure of cis-[1,2-bis(diphenylphosphanyl)ethene-κ2 P,P′]dichloridoplatinum(II) chloroform disolvate: a new polymorph

2018 ◽  
Vol 74 (7) ◽  
pp. 998-1001
Author(s):  
Jimmy Mugemana ◽  
John Bender ◽  
Richard J. Staples ◽  
Shannon M. Biros
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Complex Molecule ◽  
Bidentate Ligand ◽  
Asymmetric Unit ◽  
Compound I ◽  
Π Interactions ◽  
The Third ◽  
Square Planar ◽  
Cl Atoms

The title compound, [PtCl2(C26H22P2)]·2CHCl3 (I), is the third monoclinic polymorph of this platinum(II) complex involving the bidentate ligand cis-1,2-bis(diphenylphosphanyl)ethylene (cis-dppe) [for the others, see: Oberhauser et al. (1998a). Inorg. Chim. Acta, 274, 143–154, and Oberhauser et al. (1995). Inorg. Chim. Acta, 238, 35–43]. The structure of compound (I) was solved in the space group P21/c, with one complex molecule in the asymmetric unit along with two solvate chloroform molecules. The PtII atom is ligated by two P and two Cl atoms in the equatorial plane and has a perfect square-planar coordination sphere. In the crystal, the complex molecule is linked to the chloroform solvate molecules by C—H...Cl hydrogen bonds and face-on C—Cl...π interactions. There are also weak offset π–π interactions present [intercentroid distances are 3.770 (6) and 4.096 (6) Å], linking the molecules to form supramolecular sheets that lie in the bc plane.

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