scholarly journals Synthesis and crystal structure of (1,4,7,10-tetraazacyclododecane-κ4 N)(tetrasulfido-κ2 S 1,S 4)manganese(II)

2020 ◽  
Vol 76 (3) ◽  
pp. 456-460
Author(s):  
Felix Danker ◽  
Christian Näther ◽  
Wolfgang Bensch
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Hydrothermal Reaction ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Dimensional Network ◽  
Using Data ◽  
Similar Complex

The title compound, [Mn(S4)(C8H20N4)], was accidentally obtained by the hydrothermal reaction of Mn(ClO4)2·6H2O, cyclen (cyclen = 1,4,7,10-tetraazacyclododecane) and Na3SbS4·9H2O in water at 413 K, indicating that polysulfide anions might represent intermediates in the synthesis of thiometallate compounds using Na3SbS4·9H2O as a reactant. X-ray powder diffraction proves that the sample is slightly contaminated with NaSb(OH)6 and an unknown crystalline phase. The crystal investigated was twinned with a twofold rotation axis as the twin element, and therefore a twin refinement using data in HKLF-5 format was performed. The asymmetric unit of the title compound consists of one MnII cation, one [S4]2− anion and one cyclen ligand in general positions. The MnII cation is sixfold coordinated by two cis-S atoms of the [S4]2− anions, as well as four N atoms of the cyclen ligand within an irregular coordination. The complexes are linked via pairs of N—H...S hydrogen bonds into chains, which are further linked into layers by additional N—H...S hydrogen bonding. These layers are connected into a three-dimensional network by intermolecular N—H...S and C—H...S hydrogen bonding. It is noted that only one similar complex with MnII is reported in the literature.

scholarly journals Crystal structure of trihydrogen bis{[1,1,1-tris(2-oxidoethylaminomethyl)ethane]cobalt(III)} trinitrate

2015 ◽  
Vol 71 (12) ◽  
pp. m275-m276 ◽  
Author(s):  
Waqas Sethi ◽  
Heini V. Johannesen ◽  
Thorbjørn J. Morsing ◽  
Stergios Piligkos ◽  
Høgni Weihe
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Network Structure ◽  
Title Compound ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Rotation Axes ◽  
Dimensional Network ◽  
Nitrate Anions

The title compound, [Co2(L)2]3+·3NO3−[whereL= CH3C(CH2NHCH2CH2OH1/2)3], has been synthesized from the ligand 1,1,1-tris(2-hydroxyethylaminomethyl)ethane. The cobalt(III) dimer has an interesting and uncommon O—H...O hydrogen-bonding motif with the three bridging hydroxy H atoms each being equally disordered over two positions. In the dimeric trication, the octahedrally coordinated CoIIIatoms and the capping C atoms lie on a threefold rotation axis. The N atoms of two crystallographically independent nitrate anions also lie on threefold rotation axes. N—H...O hydrogen bonding between the complex cations and nitrate anions leads to the formation of a three-dimensional network structure. The compound is a racemic conglomerate of crystals containing either D or L molecules. The crystal used for this study is a D crystal.

scholarly journals Hexaaquabis[3,5-bis(hydroxyimino)-1-methyl-2,4,6-trioxocyclohexanido-κ2N3,O4]barium tetrahydrate

2013 ◽  
Vol 69 (11) ◽  
pp. m602-m603
Author(s):  
Nguyen Dinh Do ◽  
Olga Kovalchukova ◽  
Adam Stash ◽  
Svetlana Strashnova
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Keto Group ◽  
Water Molecules ◽  
Lattice Water ◽  
Dimensional Network

In the title compound, [Ba(C7H5N2O5)2(H2O)6]·4H2O, the Ba2+cation lies on a twofold rotation axis and is ten-coordinated by two 3,5-bis(hydroxyimino)-1-methyl-2,4,6-trioxocyclohexanide oxo O atoms [Ba—O = 2.8715 (17) Å], two hydroxyimino N atoms [Ba—N = 3.036 (2) Å], and six water molecules [Ba—O = 2.847 (2), 2.848 (2), and 2.880 (2) Å]. The 3,5-bis(hydroxyimino)-1-methyl-2,4,6-trioxocyclohexanide monoanions act in a bidentate chelating manner, coordinating through an N atom of the non-deprotonated hydroxyimino group and an O atom of the neighboring oxo group. Two lattice water molecules are located in the cavities of the framework and are involved in hydrogen bonding to O atoms of one of the coordinating water molecules and the O atom of a keto group of the ligand. As a result, a three-dimensional network is formed.

scholarly journals Synthesis, crystal structure and thermal properties of poly[bis[μ2-3-(aminomethyl)pyridine]bis(thiocyanato)cobalt(II)]

2021 ◽  
Vol 77 (4) ◽  
pp. 428-432
Author(s):  
Christoph Krebs ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Differential Scanning Calorimetry ◽  
Hydrogen Bonding ◽  
Thermal Properties ◽  
Powder Diffraction ◽  
Title Compound ◽  
Three Dimensional ◽  
Scanning Calorimetry ◽  
X Ray ◽  
Dimensional Network

The reaction of Co(NCS)2 with 3-(aminomethyl)pyridine as coligand leads to the formation of crystals of the title compound, [Co(NCS)2(C6H8N2)2] n , that were characterized by single-crystal X-ray analysis. In the crystal structure, the CoII cations are octahedrally coordinated by two terminal N-bonded thiocyanate anions as well as two pyridine and two amino N atoms of four symmetry-equivalent 3-(aminomethyl)pyridine coligands with all pairs of equivalent atoms in a trans position. The CoII cations are linked by the 3-(aminomethyl)pyridine coligands into layers parallel to the ac plane. These layers are further linked by intermolecular N—H...S hydrogen bonding into a three-dimensional network. The purity of the title compound was determined by X-ray powder diffraction and its thermal behavior was investigated by differential scanning calorimetry and thermogravimetry.

scholarly journals Crystal structure ofcatena-poly[[copper(II)-μ2-salicylato-[diaquacopper(II)]-μ2-salicylato] dihydrate]

2017 ◽  
Vol 73 (2) ◽  
pp. 235-238
Author(s):  
Jitschaq A. van der Horn ◽  
Martin Lutz
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Metal Coordination ◽  
Water Molecules ◽  
Lattice Water ◽  
Dimensional Network ◽  
Dianionic Form

The title compound, {[Cu2(C7H4O3)2(H2O)2]·2H2O}n, contains two copper(II) cations in special positions (one on a twofold rotation axis and one on an inversion centre) and the the salicylate ligand in its dianionic form. By four- and six-coordinate metal coordination, chains are formed parallel to [001], which are extended by O—H...O hydrogen bonding into sheets extending parallel to (100). These sheets are weakly connected by O—H...O hydrogen bondingviathe non-coordinating lattice water molecules into a three-dimensional network.

scholarly journals Bis(nitrilotriacetamide-κ4 N,O,O′,O′′)silver(I) nitrate

IUCrData ◽  
2018 ◽  
Vol 3 (1) ◽  
Author(s):  
Min Ren ◽  
Ming Yue ◽  
Jingwen Ran
Keyword(s):  
Hydrogen Bonding ◽  
Network Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network

In the centrosymmetric cation of the title compound, [Ag(C6H12N4O3)2]NO3, the AgI ion, lying on a threefold rotoinversion axis, is coordinated by two N atoms and six O atoms from two nitrilotriacetamide ligands, forming a distorted dodecahedral environment. In the crystal, cations and anions are linked through N—H...O hydrogen-bonding interactions, leading to a three-dimensional network structure.

scholarly journals 2-Carboxy-4-(hydroxymethyl)pyridinium chloride hemihydrate

2007 ◽  
Vol 63 (3) ◽  
pp. o1121-o1122
Author(s):  
Lars S. von Chrzanowski ◽  
Martin Lutz ◽  
Anthony L. Spek ◽  
Aidan R. McDonald ◽  
Gerard P. M. van Klink ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Pyridinium Chloride ◽  
Compound C ◽  
Dimensional Network

The title compound, C7H8NO3 +·Cl−·0.5H2O, features inter- and intramolecular O—H...Cl and N—H...O hydrogen bonds, linking the molecules into a three-dimensional network. The water molecule is located on a crystallographic twofold rotation axis.

Redetermination of trans-diaquabis(picolinato-κ2 N,O)cobalt(II) dihydrate

2006 ◽  
Vol 62 (4) ◽  
pp. m796-m798 ◽  
Author(s):  
Zerrin Heren ◽  
Cem Cüneyt Ersanlı ◽  
Cem Keser ◽  
Nazan Ocak Ískeleli
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Inversion Center ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Distorted Octahedral

The crystal structure of the title compound, [Co(C6H4NO2)2(H2O)2]·2H2O, has been reinvestigated with improved precision [previous reports: Chang et al. (1972). J. Coord. Chem. 2, 31–34; Lumme et al. (1969). Suom. Kemistil. B, 42, 270]. In the title compound, the Co atom is located on an inversion center and its coordination can be described as slightly distorted octahedral, equatorially trans-coordinated by two N and O atoms of two picolinate ligands and axially coordinated by two O atoms of the water molecules. Intermolecular O—H...O and C—H...O hydrogen-bonding interactions result in the formation of an intricate three-dimensional network.

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.

Construction of a three-dimensional supramolecular framework based on an anionic cadmium(II) coordination network and protonated dipyridine organic cations

2018 ◽  
Vol 74 (8) ◽  
pp. 889-893
Author(s):  
Qian-Kun Zhou ◽  
Lin Wang ◽  
Dong Liu
Keyword(s):  
Hydrogen Bonding ◽  
Self Assembly ◽  
Title Compound ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Hydrothermal Conditions ◽  
X Ray ◽  
Coordination Network ◽  
Hydrogen Bonding Interactions ◽  
Point Symbol

As a class of multifunctional materials, crystalline supramolecular complexes have attracted much attention because of their unique architectures, intriguing topologies and potential applications. In this article, a new supramolecular compound, namely catena-poly[4,4′-(buta-1,3-diene-1,4-diyl)dipyridin-1-ium [(μ4-benzene-1,2,4,5-tetracarboxylato-κ6 O 1,O 1′:O 2:O 4,O 4′:O 5)cadmium(II)]], {(C14H14N2)[Cd(C10H2O8)]} n or {(1,4-H2bpbd)[Cd(1,2,4,5-btc)]} n , has been prepared by the self-assembly of Cd(NO3)2·4H2O, benzene-1,2,4,5-tetracarboxylic acid (1,2,4,5-H4btc) and 1,4-bis(pyridin-4-yl)buta-1,3-diene (1,4-bpbd) under hydrothermal conditions. The title compound has been structurally characterized by IR spectroscopy, elemental analysis, powder X-ray diffraction and single-crystal X-ray diffraction analysis. Each CdII centre is coordinated by six O atoms from four different (1,2,4,5-btc)4− tetraanions. Each CdII cation, located on a site of twofold symmetry, binds to four carboxylate groups belonging to four separate (1,2,4,5-btc)4− ligands. Each (1,2,4,5-btc)4− anion, situated on a position of \overline{1} symmetry, binds to four crystallographically equivalent CdII centres. Neighbouring CdII cations interconnect bridging (1,2,4,5-btc)4− anions to form a three-dimensional {[Cd(1,2,4,5-btc)]2−} n anionic coordination network with infinite tubular channels. The channels are visible in both the [1\overline{1}0] and the [001] direction. Such a coordination network can be simplified as a (4,4)-connected framework with the point symbol (4284)(4284). To balance the negative charge of the metal–carboxylate coordination network, the cavities of the network are occupied by protonated (1,4-H2bpbd)2+ cations that are located on sites of twofold symmetry. In the crystal, there are strong hydrogen-bonding interactions between the anionic coordination network and the (1,4-H2bpbd)2+ cations. Considering the hydrogen-bonding interactions, the structure can be further regarded as a three-dimensional (4,6)-connected supramolecular architecture with the point symbol (4264)(42687·84). The thermal stability and photoluminescence properties of the title compound have been investigated.

scholarly journals (3aR*,8bR*)-3a,8b-Dihydroxy-1-(4-methylphenyl)-2-methylsulfanyl-3-nitro-1,8b-dihydroindeno[1,2-b]pyrrol-4(3aH)-one

2014 ◽  
Vol 70 (3) ◽  
pp. o279-o280
Author(s):  
R. A. Nagalakshmi ◽  
J. Suresh ◽  
R. Ranjith Kumar ◽  
V. Jeyachandran ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Independent Molecules ◽  
Hydroxy Groups

The asymmetric unit of the title compound, C19H16N2O5S, contains four independent molecules (A,B,CandD), with two molecules (BandD) displaying disorder in their methylsulfanyl groups [occupancy ratios of 0.797 (11):0.203 (11) and 0.85 (2):0.15 (2)]. The nitro groups are twisted slightly out of the planes of the 2-pyrroline rings to which they are bonded with dihedral angles of 10.17 (1), 8.01 (1), 9.44 (1) and 8.87 (1)° in moleculesA,B,CandD, respectively. The 2-pyrroline rings are almost orthogonal to the attached tolyl rings, forming dihedral angles of 73.44 (1), 81.21 (1), 88.18 (8) and 73.94 (1)° for moleculesA,B,CandD, respectively. A weak intramolecular O—H...O interaction is observed in moleculesBandC. The two hydroxy groups in each molecule are involved in intermolecular O—H...O hydrogen bonding. In the crystal, molecules are connectedviaO—H...O and C—H...O hydrogen bonds, forming a complex three-dimensional network.

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