scholarly journals Crystal structure of a methanol solvate of a macrocycle bearing two flexible side-arms

2021 ◽  
Vol 77 (3) ◽  
pp. 233-236
Author(s):  
Felix Amrhein ◽  
Anke Schwarzer ◽  
Monika Mazik
Keyword(s):  
Three Dimensional ◽  
Supramolecular Network ◽  
Host Molecule ◽  
Asymmetric Unit ◽  
Guest Complex ◽  
Symmetry Center ◽  
Host Guest Complex ◽  
Crystallographic Symmetry ◽  
Graph Set ◽  
Solvent Molecules

Di-tert-butyl N,N′-{[13,15,28,30,31,33-hexaethyl-3,10,18,25,32,34-hexaazapentacyclo[25.3.1.15,8.112,16.120,23]tetratriaconta-1(31),3,5,7,9,12(33),13,15,18,20,22,24,27,29-tetradecaene-14,29-diyl]bis(methylene)}dicarbamate methanol disolvate, C52H72N8O4·2CH3OH, was found to crystallize in the space group P21/c with one half of the macrocycle (host) and one molecule of solvent (guest) in the asymmetric unit of the cell, i.e. the host molecule is located on a crystallographic symmetry center. Within the 1:2 host–guest complex, the solvent molecules are accommodated in the host cavity and held in their positions by O—H...N and N—H...O bonds, thus forming ring synthons of graph set R 2 2(7). The connection of the 1:2 host-guest complexes is accomplished by C—H...O, C—H...N and C—H...π interactions, which create a three-dimensional supramolecular network.

scholarly journals Crystal structure of an HgIIcoordination polymer with an unsymmetrical dipyridyl ligand:catena-poly[[[dichloridomercury(II)]-μ-N-(pyridin-4-ylmethyl)pyridin-3-amine-κ2N:N′] chloroform hemisolvate]

2016 ◽  
Vol 72 (11) ◽  
pp. 1513-1516 ◽  
Author(s):  
Suk-Hee Moon ◽  
Donghyun Kang ◽  
Ki-Min Park
Keyword(s):  
Crystal Structure ◽  
Rotation Axis ◽  
Solvent Molecule ◽  
Three Dimensional ◽  
Supramolecular Network ◽  
Asymmetric Unit ◽  
Tetrahedral Geometry ◽  
Π Interactions ◽  
Distorted Tetrahedral Geometry ◽  
Solvent Molecules

The asymmetric unit of the title compound, {[HgLCl2]·0.5CHCl3}n(L=N-(pyridin-4-ylmethyl)pyridin-3-amine, C11H11N3), contains one HgIIion, one bridgingLligand, two chloride ligands and a chloroform solvent molecule with half-occupancy that is disordered about a crystallographic twofold rotation axis. Each HgIIion is coordinated by two pyridine N atoms from two symmetry-relatedLligands and two chloride anions in a highly distorted tetrahedral geometry with bond angles falling in the range 99.05 (17)–142.96 (7)°. EachLligand bridges two HgIIions, forming polymeric zigzag chains propagating in [010]. In the crystal, the chains are linked by intermolecular N/C—H...Cl hydrogen bonds together with weak C—H...π interactions, resulting in the formation of a three-dimensional supramolecular network, which is further stabilized by C—Cl...π interactions between the solvent chloroform molecules and the pyridine rings ofL[chloride-to-centroid distances = 3.442 (11) and 3.626 (13) Å]. In addition, weak Cl...Cl contacts [3.320 (5) Å] between the chloroform solvent molecules and the coordinating chloride anions are also observed.

scholarly journals Dopaminium nitrate

2014 ◽  
Vol 70 (5) ◽  
pp. o571-o572
Author(s):  
Sofian Gatfaoui ◽  
Houda Marouani ◽  
Thierry Roisnel ◽  
Hassouna Dhaouadi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Supramolecular Network ◽  
Asymmetric Unit ◽  
Nitrate Ions ◽  
Nitrate Anions

The asymmetric unit of the title salt [systematic name: 2-(3,4-dihydroxyphenyl)ethanaminium nitrate], C8H12NO2+·NO3−, contains two independent cations and two independent nitrate anions. The crystal structure consists of discrete nitrate ions stacked in layers parallel to (010). These layers are linkedviathe dopaminium cations by O—H...O, N—H...O and weak C—H...O hydrogen bonds, forming a three-dimensional supramolecular network.

scholarly journals Crystal structure of 4-({5-[(E)-(3,5-difluorophenyl)diazenyl]-2-hydroxybenzylidene}amino)-2,2,6,6-tetramethylpiperidin-1-oxyl

2015 ◽  
Vol 71 (7) ◽  
pp. 864-866
Author(s):  
Ramazan Tatsız ◽  
Veli T. Kasumov ◽  
Tuncay Tunc ◽  
Tuncer Hökelek
Keyword(s):  
Dihedral Angle ◽  
Three Dimensional ◽  
Chair Conformation ◽  
The Other ◽  
Supramolecular Network ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules

The asymmetric unit of the title compound, C22H25F2N4O2, contains two crystallographically independent molecules. In one molecule, the two benzene rings are oriented at a dihedral angle of 1.93 (10)° and in the other molecule the corresponding dihedral angle is 7.19 (9)°. The piperidine rings in the two molecules adopt a similar distorted chair conformation, and both have pseudo-mirror planes passing through the N—O bonds. An intramolecular O—H...N hydrogen bond between the hydroxy group and the imine N atom is observed in both molecules. In the crystal, weak C—H...O and C—H...F hydrogen bonds, enclosingR22(6) ring motifs, and weak π–π stacking interactions link the molecules into a three-dimensional supramolecular network, with centroid-to-centroid distances between the nearly parallel phenyl and benzene rings of adjacent molecules of 3.975 (2) and 3.782 (2) Å.

One-dimensional CuIand AgIladder-like coordination polymers supported by 2-ethyl-1-(pyridin-3-ylmethyl)-1H-benzimidazole

2013 ◽  
Vol 69 (9) ◽  
pp. 1017-1021
Author(s):  
Liu-cheng Gui ◽  
Guang-ming Liang ◽  
Hua-hong Zou ◽  
Zhong Hou
Keyword(s):  
Hydrogen Bonds ◽  
Metal Ion ◽  
Three Dimensional ◽  
Coordination Geometry ◽  
Tetrahedral Coordination ◽  
Asymmetric Unit ◽  
Counter Anion ◽  
One Dimensional ◽  
Solvent Molecules ◽  
Distorted Tetrahedral Coordination

The title complexes, poly[[bis[μ2-2-ethyl-1-(pyridin-3-ylmethyl)-1H-benzimidazole-κ2N1:N3]copper(I)] tetrafluoroborate acetonitrile monosolvate], {[Cu(C15H15N3)2]BF4·CH3CN}n, (I), and poly[[bis[μ2-2-ethyl-1-(pyridin-3-ylmethyl)-1H-benzimidazole-κ2N1:N3]silver(I)] perchlorate methanol monosolvate], {[Ag(C15H15N3)2]ClO4·CH3OH}n, (II), are isostructural and exhibit one-dimensional ladder-like structures in which each asymmetric unit contains one metal ion (Cu+or Ag+), two 2-ethyl-1-(pyridin-3-ylmethyl)-1H-benzimidazole (bep) ligands, one counter-anion (tetrafluoroborate or perchlorate) and one interstitial molecule (acetonitrile or methanol). Each metal ion exhibits a distorted tetrahedral coordination geometry consisting of two pyridyl and two benzimidazole N atoms from four distinct ligands. Two metal ions are linked by two bep ligands to form a centrosymmetric 18-memberedM2(bep)2metallacycle, while adjacentM2(bep)2metallacycles are further interlinked by another two bep ligands resulting in a ladder-like array. In the extended structure, four adjacent ladder-like arrays are connected together through C—H...F, O—H...O and C—H...O hydrogen bonds between bep ligands, solvent molecules and counter-anions into a three-dimensional supramolecular structure.

scholarly journals Crystal structure ofcatena-poly[bis(formato-κO)bis[μ2-1,1′-(1,4-phenylene)bis(1H-imidazole)-κ2N3:N3′]cobalt(II)]

2015 ◽  
Vol 71 (9) ◽  
pp. m156-m157
Author(s):  
Guo-Wang Xu ◽  
Ye-Nan Wang ◽  
Hong-Xu Xia ◽  
Zhong-Long Wang
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Supramolecular Network ◽  
Nitrate Hexahydrate ◽  
Coordination Geometry ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Hydrogen Bonding Interactions ◽  
Block Shaped Crystal

A red block-shaped crystal of the title compound, [Co(HCOO)2(C12H10N4)2]n, was obtained by the reaction of cobalt(II) nitrate hexahydrate, formic acid and 1,1′-(1,4-phenylene)bis(1H-imidazole) (bib) molecules. The asymmetric unit consists of one CoIIcation, one formate ligand and two halves of a bib ligand. The central CoIIcation, located on an inversion centre, is coordinated by two carboxylate O atoms and four N atoms from bib ligands, completing an octahedral coordination geometry. The CoIIcentres are bridged by bib ligands, giving a two-dimensional net. Topologically, taking the CoIIatoms as nodes and the bib ligands as linkers, the two-dimensional structure can be simplified as a typicalsql/Shubnikov tetragonal plane network. The structure features C—H...O hydrogen-bonding interactions between formate and bib ligands, resulting in a three-dimensional supramolecular network.

scholarly journals Methyl 6-O-trityl-α-D-glucopyranoside methanol disolvate

2014 ◽  
Vol 70 (4) ◽  
pp. o492-o493
Author(s):  
Zeynep Gültekin ◽  
Mehmet Civan ◽  
Wolfgang Frey ◽  
Tuncer Hökelek
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Supramolecular Architecture ◽  
Asymmetric Unit ◽  
Compound C ◽  
Solvent Molecules

The asymmetric unit of the title compound, C26H28O6·2CH3OH, contains two independent methyl 6-O-trityl-α-D-glucopyranoside molecules and four methanol solvent molecules. The rings of two methyl α-D-glucopyranoside adopt chair conformations. In the crystal, extensive intra- and intermolecular O—H...O and C—H...O hydrogen bonds link the molecules into a three-dimensional supramolecular architecture.

scholarly journals Bis[bis(2,2′-bipyridine-κ2N,N′)(carbonato-κ2O,O′)cobalt(III)] 2-{4-[(carboxylatomethyl)carbamoyl]benzamido}acetate hexahydrate

2014 ◽  
Vol 70 (5) ◽  
pp. m160-m161 ◽  
Author(s):  
Niels-Patrick Pook ◽  
Mimoza Gjikaj ◽  
Arnold Adam
Keyword(s):  
Complex Cation ◽  
Three Dimensional ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Coordination Environment ◽  
Distorted Octahedral ◽  
Carbonate Anion ◽  
Distorted Octahedral Coordination Environment

The complex cation of the title compound, [Co(CO3)(C10H8N2)2]2(C12H10N2O6)·6H2O, contains a CoIIIatom with a distorted octahedral coordination environment formed by four N atoms from two bidentate 2,2′-bipyridine ligands and one bidentate carbonate anion. The asymmetric unit is completed by one-half of the 2-({4-[(carboxylatomethyl)carbamoyl]phenyl}formamido)acetate dianion, which is located on a centre of inversion, and by three water molecules. Two [Co(CO3)(C10H8N2)2]+cations are connected through C—H...O contacts by the uncoordinating anions. The aromatic rings of the 2,2′-bipyridine ligands and diacetate anions are involved in π–π stacking and C—H...π interactions. The centroid–centroid distances are in the range 3.4898 (4)–3.6384 (5) Å. The crystal structure is stabilized by further O—H...O and N—H...O hydrogen bonds, which give rise to a three-dimensional supramolecular network.

scholarly journals Poly[(μ3-5-hydroxyisophthalato)[μ2-1,1′-(1,4-phenylene)bis(1H-imidazole)]copper]

IUCrData ◽  
2016 ◽  
Vol 1 (11) ◽  
Author(s):  
Hong-Hong Tao ◽  
Yu-Han Chen ◽  
Ya-Sai Liu ◽  
Zhuo-Ga Deji
Keyword(s):  
Three Dimensional ◽  
Dimensional Structure ◽  
Supramolecular Network ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Bridging Ligands ◽  
Trigonal Bipyramidal ◽  
A Chain ◽  
Organic Linker ◽  
Distorted Trigonal Bipyramidal

The title compound, [Cu(C8H4O5)(C12H10N4)]n, was obtained by the reaction of copper(II) nitrate hydrate, with the OH-BDC organic linker and bib molecules [OH-BDC = 5-hydroxyisophthalic acid and bib = 1,4-bis(imidazol-1-yl)benzene]. The asymmetric unit comprises one CuIIcation, one OH-BDC−2dianion and a bib ligand. The CuIIion is coordinated by three carboxylate O atoms and two bib-N atoms, all from bridging ligands, to form a slightly distorted trigonal–bipyramidal geometry. The CuIIions are bridged by OH-BDC−2ligands, forming a chain along the [100] direction; the chains are connected by bib molecules to form a two-dimensional net. In topological terms, considering the CuIIatoms as nodes and the OH-BDC−2ligands as linkers, the two-dimensional structure can be simplified as a typical 2-nodal 3,5 L2 plane network. The crystal structure features O—H...O hydrogen bonds between OH-BDC−2anions, resulting in a three-dimensional supramolecular network.

scholarly journals Crystal structure of the thalidomide analog (3aR*,7aS*)-2-(2,6-dioxopiperidin-3-yl)hexahydro-1H-isoindole-1,3(2H)-dione

2018 ◽  
Vol 74 (11) ◽  
pp. 1595-1598 ◽  
Author(s):  
Yousef Hijji ◽  
Ellis Benjamin ◽  
Jerry P. Jasinski ◽  
Ray J. Butcher
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Aromatic Ring ◽  
Title Compound ◽  
Reciprocal Lattice ◽  
Three Dimensional ◽  
Racemic Mixture ◽  
Asymmetric Unit ◽  
Compound C ◽  
Graph Set

The title compound, C13H16N2O4, crystallizes in the monoclinic centrosymmetric space group, P21/c, with four molecules in the asymmetric unit, thus there is no crystallographically imposed symmetry and it is a racemic mixture. The structure consists of a six-membered unsaturated ring bound to a five-membered pyrrolidine-2,5-dione ring N-bound to a six-membered piperidine-2,6-dione ring and thus has the same basic skeleton as thalidomide, except for the six-membered unsaturated ring substituted for the aromatic ring. In the crystal, the molecules are linked into inversion dimers by R 2 2(8) hydrogen bonding involving the N—H group. In addition, there are bifurcated C—H...O interactions involving one of the O atoms on the pyrrolidine-2,5-dione with graph-set notation R 1 2(5). These interactions along with C—H...O interactions involving one of the O atoms on the piperidine-2,6-dione ring link the molecules into a complex three-dimensional array. There is pseudomerohedral twinning present which results from a 180° rotation about the [100] reciprocal lattice direction and with a twin law of 1 0 0 0 \overline{1} 0 0 0 \overline{1} [BASF 0.044 (1)].

scholarly journals (4-Aminosulfonylphenyl)[(2-oxidonaphthalen-1-yl)imino]azanium

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
A. Benosmane ◽  
D. A. Rouag ◽  
A. Mili ◽  
H. Merazig ◽  
M. A. Benaouida
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Supramolecular Network ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Compound C ◽  
Π Stacking

The crystal structure of the title compound, C16H13N3O3S, shows that the two independent zwitterions in the asymmetric unit are approximately planar. Intramolecular N—H...O hydrogen bonds occur and the aromatic rings have atransconfiguration with respect to the azo double bond. In the crystal, the molecules are linkedviaN—H...O hydrogen bonds and π–π stacking, forming a three-dimensional supramolecular network, the π–π stacking interactions between adjacent benzene and naphthalene rings having centroid-to-centroid distances of 3.764 (3) and 3.775 (3) Å.

Sign in / Sign up

Export Citation Format

Share Document