scholarly journals Crystal structure of the one-dimensional metal–organic polymercatena-poly[[tris(μ-2,4,6-trimethylbenzoato-κ2O:O′)dizinc]-μ-2,4,6-trimethylbenzoato-κ2O:O′]

2015 ◽  
Vol 71 (1) ◽  
pp. m14-m15
Author(s):  
Masaki Yamamura ◽  
Tatsuya Nabeshima
Keyword(s):  
Crystal Structure ◽  
Title Complex ◽  
Asymmetric Unit ◽  
Tetrahedral Geometry ◽  
Polymeric Structure ◽  
One Dimensional ◽  
Bond Lengths ◽  
Metal Organic ◽  
The One

The title complex, [Zn2(C10H11O2)4]n, has a one-dimensional polymeric structure. The asymmetric unit consists of two zinc atoms bridged by three 2,4,6-trimethylbenzoate anions and one bidentate bridging 2,4,6-trimethylbenzoate anion. The [Zn2(C9H11CO2)3] cluster units are intermolecularly linked to form a one-dimensional polymer, which propagates in the direction of the crystallographicbaxis. The Zn atoms adopt a tetrahedral geometry. The Zn—O bond lengths in the intramolecular bridges are slightly shorter than those in the intermolecular bridges.

scholarly journals Crystal structure of bis(2-{1-[(E)-(4-fluorobenzyl)imino]ethyl}phenolato-κ2N,O)palladium(II)

2015 ◽  
Vol 71 (4) ◽  
pp. 350-353
Author(s):  
Amalina Mohd Tajuddin ◽  
Hadariah Bahron ◽  
Hamizah Mohd Zaki ◽  
Karimah Kassim ◽  
Suchada Chantrapromma
Keyword(s):  
Crystal Structure ◽  
Schiff Base ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Complex ◽  
Asymmetric Unit ◽  
Schiff Base Ligands ◽  
Bond Lengths ◽  
Square Planar ◽  
Coordination Plane

The asymmetric unit of the title complex, [Pd(C15H13FNO)2], contains one half of the molecule with the PdIIcation lying on an inversion centre and is coordinated by the bidentate Schiff base anion. The geometry around the cationic PdIIcentre is distorted square planar, chelated by the imine N- and phenolate O-donor atoms of the two Schiff base ligands. The N- and O-donor atoms of the two ligands are mutuallytrans, with Pd—N and Pd—O bond lengths of 2.028 (2) and 1.9770 (18) Å, respectively. The fluorophenyl ring is tilted away from the coordination plane and makes a dihedral angle of 66.2 (2)° with the phenolate ring. In the crystal, molecules are linked into chains along the [101] direction by weak C—H...O hydrogen bonds. Weak π–π interactions with centroid–centroid distances of 4.079 (2) Å stack the molecules alongc.

scholarly journals Synthesis and crystal structure of poly[(3-amino-1,2,4-triazole)(μ3-1H-benzimidazole-5,6-dicarboxylato)cobalt(II)]

2021 ◽  
Vol 77 (7) ◽  
pp. 714-717
Author(s):  
Chen Zhao ◽  
Yi Li ◽  
Jin-Sheng Xiao ◽  
Peng-Dan Zhang ◽  
Xue-Qian Wu ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Three Dimensional ◽  
Chain Structure ◽  
Asymmetric Unit ◽  
Straight Chain ◽  
Tetrahedral Geometry ◽  
Synthesis And Crystal Structure ◽  
One Dimensional ◽  
Hydrogen Bonding Interactions

The asymmetric unit of the title coordination polymer, [Co(C9H4N2O4)(C2H4N4)] n or [Co(L 1)(L 2)] n , consists of one crystallographically independent Co2+ centre, one L 1 2− ligand and one L 2 ligand (L 1 = 1H-benzimidazole-5,6-dicarboxylic acid, L 2 = 3-amino-1,2,4-triazole). The Co2+ centre is coordinated by two carboxylato-O atoms from two independent L 1 2− ligands and two nitrogen atoms from L 2 and another L 1 ligand. Thus, the metal center adopts a four-coordinate mode, forming a tetrahedral geometry. Interestingly, through the combination of two L 1 2−, two L 2 ligands and two Co2+ ions, a basic repeating unit is constructed, resulting in the formation of a one-dimensional straight chain structure. These chains are further expanded to the final three-dimensional framework via N—H...O hydrogen-bonding interactions.

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 [1-(2,6-diisopropylphenyl)-2,4-bis(dimethylamino)-5-trimethylsilyl-1,3,5-triazapentadienyl-κ2N1,N5](triphenylphosphane-κP)copper(I)

2015 ◽  
Vol 71 (3) ◽  
pp. m54-m54 ◽  
Author(s):  
Feiguang Li ◽  
Lei Yan ◽  
Hongbo Tong ◽  
Meisu Zhou
Keyword(s):  
Crystal Structure ◽  
Coordination Sphere ◽  
Bond Angle ◽  
Title Complex ◽  
One Pot ◽  
Bond Lengths ◽  
The One

The title complex, [Cu(C21H38N5Si)(C18H15P)], was obtained from the one-pot reaction between (Dipp)N(Li)SiMe3(Dipp = 2,6-diisopropylphenyl), Me2NCN, CuCl and PPh3. The CuIatom has a distorted trigonal–planar coordination sphere. The triazapentadienyl ligand acts as a κ2-donor. The N—Cu—N bond angle is 95.88 (14)°. In the triazapentadienyl fragment, the C—N bond lengths are in the range 1.328 (5)–1.349 (5) Å, which indicates delocalization of the π-electrons in the NCNCN system.

scholarly journals Crystal structure of 7,8,15,16,17-pentathiadispiro[5.2.59.36]heptadecane

2019 ◽  
Vol 75 (6) ◽  
pp. 888-891 ◽  
Author(s):  
Robert Hofstetter ◽  
Benedict J. Elvers ◽  
Felix Potlitz ◽  
Andreas Link ◽  
Carola Schulzke
Keyword(s):  
Crystal Structure ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Asymmetric Unit ◽  
Related Molecule ◽  
One Dimensional ◽  
Compound C ◽  
The One ◽  
Parallel Fashion ◽  
Cyclohexyl Group

The title compound, C12H20S5, crystallizes in the monoclinic space group P21/c with four molecules in the unit cell. In the crystal, the asymmetric unit comprises the entire molecule with the three cyclic moieties arranged in a line. The molecules in the unit cell pack in a parallel fashion, with their longitudinal axes arranged along a uniform direction. The packing is stabilized by the one-dimensional propagation of non-classical hydrogen-bonding contacts between the central sulfur atom of the S3 fragment and the C—H of a cyclohexyl group from a glide-related molecule [C...S = 3.787 (2) Å].

scholarly journals A one-dimensional HgIIcoordination polymer based on bis(pyridin-3-ylmethyl)sulfane

2017 ◽  
Vol 73 (12) ◽  
pp. 1871-1874
Author(s):  
Suk-Hee Moon ◽  
Youngjin Kang ◽  
Ki-Min Park
Keyword(s):  
Hydrogen Bonds ◽  
Central Atom ◽  
Three Dimensional ◽  
Supramolecular Network ◽  
Zigzag Chain ◽  
Asymmetric Unit ◽  
Tetrahedral Geometry ◽  
One Dimensional ◽  
Centroid Distance ◽  
The One

The reaction of mercury(II) chloride with bis(pyridin-3-ylmethyl)sulfane (L, C12H12N2S) in methanol afforded the title crystalline coordination polymercatena-poly[[dichloridomercury(II)]-μ-bis(pyridin-3-ylmethyl)sulfane-κ2N:N′], [HgCl2L]n. The asymmetric unit consists of one HgIIcation, oneLligand and two chloride anions. Each HgIIion is coordinated by two pyridine N atoms from separateLligands and two chloride anions. The metal adopts a highly distorted tetrahedral geometry, with bond angles about the central atom in the range 97.69 (12)–153.86 (7)°. EachLligand bridges two HgIIions, forming an infinite –(Hg–L)n– zigzag chain along thebaxis, with an Hg...Hg separation of 10.3997 (8) Å. In the crystal, adjacent chains are connected by intermolecular C—H...Cl hydrogen bonds, together with Hg—Cl...π interactions [chloride-to-centroid distance = 3.902 (3) Å], that form between a chloride anion and the one of the pyridine rings ofL, generating a two-dimensional layer extending parallel to (101). These layers are further linked by intermolecular C—H...π hydrogen bonds, forming a three-dimensional supramolecular network.

scholarly journals Crystal structure of dibromidobis(1,3-dibenzyl-1,3-diazinan-2-one-κO)cobalt(II)

2015 ◽  
Vol 71 (9) ◽  
pp. m160-m161
Author(s):  
Eduard Rais ◽  
Ulrich Flörke ◽  
René Wilhelm
Keyword(s):  
Crystal Structure ◽  
Rotation Axis ◽  
Title Complex ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Bond Lengths ◽  
Non Covalent Interactions ◽  
Van Der Waals Radii ◽  
Covalent Interactions ◽  
Axis Passing

The unit cell of the title complex, [CoBr2(C18H20N2O)2], contains 1.5 formula units per asymmetric unit with one molecule sitting on a general site and a second one halved by a crystallographic twofold rotation axis passing through the CoIIcation. Both CoIIatoms are coordinated in a distorted tetrahedral manner by two Br−ligands and two O atoms of the pyrimidinone (OPyr) groups. The Br—Co—Br coordination angles are similar [115.46 (4) and 115.20 (5)°], while the O—Co—O angles differ slightly more [102.26 (18) and 98.1 (2)°]. Similarly, the Co—Br bond lengths are almost identical [2.3721 (9), 2.3757 (10) and 2.3809 (10) Å], with a larger difference between the Co—O bond lengths [1.929 (4), 1.926 (4) and 1.955 (4) Å]. The three independent OPyr groups present envelope conformations, with three C and two N atoms lying in well defined planes with maximum deviations from the least-squares planes of 0.047, 0.031 and 0.036 Å, and the external-most C atoms protruding by 0.654 (6), 0.643 (7) and 0.656 (6) Å out of the planes. The dihedral angles between the planar fractions of the OPyr planes are 50.5 (1)° for the nonsymmetric molecule and 49.7 (1)° for the symmetric one. Non-covalent interactions are of the C—H...Br type and they are weak, hardly shorter than van der Waals radii, with an H...Br distance range of 3.00–3.04 Å. The intermolecular interactions define chains parallel to [101].

scholarly journals Crystal structure of a one-dimensional coordination polymer of tin(IV) bromide with 1,4-dithiane

2015 ◽  
Vol 71 (12) ◽  
pp. m267-m268 ◽  
Author(s):  
Hans Reuter ◽  
Natalia Röwekamp-Krugley ◽  
Marius Imwalle ◽  
Simona Keil ◽  
Martin Reichelt
Keyword(s):  
Crystal Structure ◽  
Chair Conformation ◽  
Mean Value ◽  
Formula Unit ◽  
Asymmetric Unit ◽  
One Dimensional ◽  
Distorted Octahedral ◽  
Polymeric Chains ◽  
The One ◽  
Typical Range

The title compound, [SnBr4(C4H8S2)] {systematic name:catena-poly[[tetrabromidotin(IV)]-μ-1,4-dithiane-κ2S:S′]}, represents the first 1,4-dithiane complex with tin as coordination centre. The asymmetric unit consist of half a formula unit with the tin(IV) atom at the centre of symmetry at 0,0,1/2 (Wyckoff symbolb) and a centrosymmetric 1,4-dithiane molecule with the centre of symmetry in 1/2,0,1 (Wyckoff symbolc). The tin(IV) atom is coordinated in a distorted octahedral manner by the four bromine atoms and two sulfur atoms of two 1,4-dithiane molecules in atrans-position. Sn—Br [mean value: 2.561 (5) Å] and Sn—S distances [2.6546 (6) Å] are in the typical range for octahedrally coordinated tin(IV) atoms and the dithiane molecule adopts a chair conformation. The one-dimensional polymeric chains propagate along the [101] direction with weak intermolecular Br...Br [3.5724 (4) Å] between parallel chains and weak Br...H interactions [2.944–2.993 Å] within the chains.

scholarly journals Crystal structure of the one-dimensional coordination polymer formed by the macrocyclic [Ni(cyclam)]2+ cation and the dianion of diphenylsilanediylbis(4-benzoic acid)

2020 ◽  
Vol 76 (6) ◽  
pp. 929-932
Author(s):  
Sergey P. Gavrish ◽  
Sergiu Shova ◽  
Maria Cazacu ◽  
Yaroslaw D. Lampeka
Keyword(s):  
Crystal Structure ◽  
Macrocyclic Ligand ◽  
Three Dimensional ◽  
Polymeric Chain ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Asymmetric Unit ◽  
One Dimensional ◽  
Polymeric Chains ◽  
The One

The asymmetric unit of the title compound, catena-poly[[[(1,4,8,11-tetraazacyclotetradecane-κ4 N 1,N 4,N 8,N 11)nickel(II)]-μ-4,4′-(diphenylsilanediyl)dibenzoato-κ2 O:O′] sesquihydrate], {[Ni(C26H18O4Si)(C10H24N4)]·1.5H2O} n , consists of the halves of the centrosymmetric macrocyclic cation and the C 2-symmetric dicarboxylate dianion and of the water molecule of crystallization. The Ni2+ ion is coordinated by the four secondary N atoms of the macrocyclic ligand characterized by the most energetically favourable trans-III conformation and two mutually trans O atoms of the carboxylate, forming a slightly tetragonally elongated trans-N4O2 octahedron. The crystals are composed of parallel polymeric chains of the macrocyclic cations linked by the anions of the acid running along the [101] direction. Each polymeric chain is bonded to four neighbouring ones via water molecules providing O—H...O hydrogen bonds to the non-coordinated carboxyl O atoms to form a three-dimensional supramolecular network.

scholarly journals Crystal structure of bis(bis{(E)-[(6-{(E)-[(4-fluorobenzyl)imino]methyl}pyridin-2-yl)methylidene](4-fluorophenyl)amine}nickel(II)) tetrabromide nonahydrate

2015 ◽  
Vol 71 (12) ◽  
pp. m226-m227 ◽  
Author(s):  
Ismet Basaran ◽  
Md Mhahabubur Rhaman ◽  
Douglas R. Powell ◽  
Md. Alamgir Hossain
Keyword(s):  
Crystal Structure ◽  
Structural Features ◽  
Title Complex ◽  
The Other ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Central Ring ◽  
Bond Lengths ◽  
Solvent Water ◽  
Octahedral Environment

In the title complex, [Ni(C21H17F2N3)2]2Br4·9H2O, there are two independent metal complexes per asymmetric unit and two ligands per metal complex. The structural features (bond lengths and angles) of the two complexes are almost identical. In each complex, the nickel(II) ion is coordinated in an octahedral environment by six N atoms from two chelating (9E)-N-({6-[(E)-(4-fluorobenzylimino)methyl]pyridin-2-yl}methylene)(4-fluorophenyl)methanammine ligands. The Ni—N bond lengths range from 1.973 (2) to 2.169 (2) Å, while the chelate N—Ni—N angles range from 77.01 (10) to 105.89 (9)°. Additionally, there are four bromide anions and nine solvent water molecules within the asymmetric unit. The water molecules form a hydrogen-bonded network, displaying C—H...O, C—H...Br, O—H...Br, O—H...O and O—H...F interactions into layers parallel to (111). In each unit, the fluorophenyl rings of one ligand are stacked with the central ring of the other ligandviaπ–π interactions, with the closest centroid-to-plane distances being 3.445 (5), 3.636 (5), 3.397 (5) and 3.396 (5) Å.

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