scholarly journals Crystal structures of bis[4-(dimethylamino)pyridinium] tetrakis(thiocyanato-κN)manganate(II) and tris[4-(dimethylamino)pyridinium] pentakis(thiocyanato-κN)manganate(II)

2018 ◽  
Vol 74 (1) ◽  
pp. 15-20
Author(s):  
Tristan Neumann ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Negative Charge ◽  
Three Dimensional ◽  
Anionic Complex ◽  
Asymmetric Unit ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Anionic Complexes ◽  
Pyridinium Cations

The crystal structures of the title salts, (C7H11N2)2[Mn(NCS)4] (1) and (C7H11N2)3[Mn(NCS)5] (2), consist of manganese(II) cations that are tetrahedrally (1) or trigonal–bipyramidally (2) coordinated to four or five terminal N-bonded thiocyanate ligands, respectively, into discrete anionic complexes. The negative charge is compensated by two (1) or three (2) 4-(dimethylamino)pyridinium cations, which are protonated at the pyridine N atom. The asymmetric unit of compound1consists of one anionic complex and two 4-(dimethylamino)pyridinium cations, whereas that of compound2consists of two anionic complexes and six 4-(dimethylamino)pyridinium cations, all of them located in general positions. These complexes are linked by N—H...S, C—H...S and C—H...N hydrogen-bonding interactions between the 4-(dimethylamino)pyridinium cations and the thiocyanate ligands into three-dimensional network structures.

scholarly journals Crystal structures of chlorido[dihydroxybis(1-iminoethoxy)]arsanido-κ3 N,As,N′]platinum(II) and of a polymorph of chlorido[dihydroxybis(1-iminopropoxy)arsanido-κ3 N,As,N′]platinum(II)

2020 ◽  
Vol 76 (2) ◽  
pp. 180-185
Author(s):  
Nina R. Marogoa ◽  
D.V. Kama ◽  
Hendrik G. Visser ◽  
M. Schutte-Smith
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Three Dimensional ◽  
Donor Ligands ◽  
Intermolecular Hydrogen Bonding ◽  
Π Interactions ◽  
Hydrogen Bonding Interactions ◽  
Oxygen Donor ◽  
Dimensional Network

Each central platinum(II) atom in the crystal structures of chlorido[dihydroxybis(1-iminoethoxy)arsanido-κ3 N,As,N′]platinum(II), [Pt(C4H10AsN2O4)Cl] (1), and of chlorido[dihydroxybis(1-iminopropoxy)arsanido-κ3 N,As,N′]platinum(II), [Pt(C6H14AsN2O4)Cl] (2), is coordinated by two nitrogen donor atoms, a chlorido ligand and to arsenic, which, in turn, is coordinated by two oxygen donor ligands, two hydroxyl ligands and the platinum(II) atom. The square-planar and trigonal–bipyramidal coordination environments around platinum and arsenic, respectively, are significantly distorted with the largest outliers being 173.90 (13) and 106.98 (14)° for platinum and arsenic in (1), and 173.20 (14)° and 94.20 (9)° for (2), respectively. One intramolecular and four classical intermolecular hydrogen-bonding interactions are observed in the crystal structure of (1), which give rise to an infinite three-dimensional network. A similar situation (one intramolecular and four classical intermolecular hydrogen-bonding interactions) is observed in the crystal structure of (2). Various π-interactions are present in (1) between the platinum(II) atom and the centroid of one of the five-membered rings formed by Pt, As, C, N, O with a distance of 3.7225 (7) Å, and between the centroids of five-membered (Pt, As, C, N, O) rings of neighbouring molecules with distances of 3.7456 (4) and 3.7960 (6) Å. Likewise, weak π-interactions are observed in (2) between the platinum(II) atom and the centroid of one of the five-membered rings formed by Pt, As, C, N, O with a distance of 3.8213 (2) Å, as well as between the Cl atom and the centroid of a symmetry-related five-membered ring with a distance of 3.8252 (12) Å. Differences between (2) and the reported polymorph [Miodragović et al. (2013). Angew. Chem. Int. Ed. 52, 10749–10752] are discussed.

scholarly journals Crystal structure of bis(4-acetylanilinium) tetrachloridocobaltate(II)

2015 ◽  
Vol 71 (12) ◽  
pp. m221-m222 ◽  
Author(s):  
Manickam Thairiyaraja ◽  
Arumugam Elangovan ◽  
Ramasamy Shanmugam ◽  
Kuthambalam Selvaraju ◽  
Subbiah Thamotharan
Keyword(s):  
Hydrogen Bonding ◽  
Three Dimensional ◽  
Mirror Plane ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Tetrahedral Anion

The structure of the title salt, (C8H10NO)2[CoCl4], is isotypic with the analogous cuprate(II) structure. The asymmetric unit contains one 4-acetylanilinium cation and one half of a tetrachloridocobaltate(II) anion for which the CoIIatom and two Cl−ligands lie on a mirror plane. The Co—Cl distances in the distorted tetrahedral anion range from 2.2519 (6) to 2.2954 (9) Å and the Cl—Co—Cl angles range from 106.53 (2) to 110.81 (4)°. In the crystal, cations are self-assembled by intermolecular N—H...O hydrogen-bonding interactions, leading to aC(8) chain motif with the chains running parallel to thebaxis. π–π stacking interactions between benzene rings, with a centroid-to-centroid distance of 3.709 Å, are also observed along this direction. The CoCl42−anions are sandwiched between the cationic chains and interact with each other through intermolecular N—H...Cl hydrogen-bonding interactions, forming a three-dimensional network structure.

scholarly journals Crystal structure of tetrakis(isonicotinamide-κN)bis(thiocyanato-κN)cobalt(II)–isonicotinamide–ethanol (1/2/1)

2016 ◽  
Vol 72 (8) ◽  
pp. 1077-1080 ◽  
Author(s):  
Tristan Neumann ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Solvent Molecule ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Solvent Molecules

The asymmetric unit of the title compound, [Co(NCS)2(C6H6N2O)4]·2C6H6N2O·C2H5OH, comprises one CoIIcation, two thiocyanate anions, four coordinating and two solvent isonicotinamide molecules and one ethanol solvent molecule. The CoIIcations are octahedrally coordinated by four N-coordinating isonicotinamide ligands and two terminally N-bonded thiocyanate anions. These discrete complexes are linked by intermolecular N—H...O and N—H...S hydrogen-bonding interactions into a three-dimensional network. The two isonicotinamide and the ethanol solvent molecules are embedded in channels of this network and are linked through further N—H...O and N—H...N hydrogen bonds to the network. The ethanol solvent molecule is disordered over two sets of sites (occupancy ratio 0.6:0.4).

scholarly journals Crystal structure of 1,4,8,11-tetraazoniacyclotetradecane bis(dichromate) monohydrate from synchrotron data

2017 ◽  
Vol 73 (5) ◽  
pp. 755-758
Author(s):  
Dohyun Moon ◽  
Jong-Ha Choi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Three Dimensional ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Intermolecular Hydrogen Bonds ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Dichromate Anions

The asymmetric unit of the hydrated title salt, (C10H28N4)[Cr2O7]2·H2O [C10H28N4= H4(cyclam) = 1,4,8,11-tetraazoniacyclotetradecane], contains two half-cations (both completed by crystallographic inversion symmetry), two dichromate anions and one water molecule. The two [CrO7]2−anions exhibit a nearly staggered conformation, with bridging angles of 133.37 (11) and 136.28 (12)°. The distortions of the dichromate anions are due to their participation in hydrogen-bonding interactions with the water molecule and the cations. Intermolecular hydrogen bonds involving the cyclam N—H groups and water O—H groups as donor groups, and the O atoms of the dichromate anions as acceptor groups give rise to a three-dimensional network.

scholarly journals Crystal structure of bis(4-benzoylpyridine-κN)bis(methanol-κO)bis(thiocyanato-κN)nickel(II) methanol monosolvate

2019 ◽  
Vol 75 (2) ◽  
pp. 299-303 ◽  
Author(s):  
Carsten Wellm ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Powder Diffraction ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
X Ray ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Pure Phase

The asymmetric unit of the title compound, [Ni(NCS)2(C12H9NO)2(CH3OH)2]·CH3OH, comprises one NiII cation, two thiocyanate anions, two 4-benzoylpyridine coligands, two coordinating, as well as one non-coordinating methanol molecule. The NiII cation is coordinated by two terminally N-bonded thiocyanate anions, the N atoms of two 4-benzoylpyridine coligands and the O atoms of two methanol ligands within a slightly distorted octahedron. Individual complexes are linked by intermolecular O—H...S hydrogen bonding into chains parallel to [010] that are further connected into layers parallel to (10\overline{1}) by C—H...S hydrogen bonds. Additional C—H...O hydrogen-bonding interactions lead to the formation of a three-dimensional network that limits channels extending parallel to [010] in which the non-coordinating methanol molecules are located. They are hydrogen-bonded to the coordinating methanol molecules. X-ray powder diffraction revealed that the compound could not be prepared as a pure phase.

scholarly journals Crystal structure of 1,4,8,11-tetramethyl-1,4,8,11-tetraazoniacyclotetradecane bis(perchlorate) dichloride from synchrotron X-ray data

2020 ◽  
Vol 76 (3) ◽  
pp. 324-327 ◽  
Author(s):  
Dohyun Moon ◽  
Jong-Ha Choi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Three Dimensional ◽  
Chloride Anion ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Intermolecular Hydrogen Bonds ◽  
X Ray ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network

The crystal structure of title salt, C14H36N4 4+·2ClO4 −·2Cl−, has been determined using synchrotron radiation at 220 K. The structure determination reveals that protonation has occurred at all four amine N atoms. The asymmetric unit contains one half-cation (completed by crystallographic inversion symmetry), one perchlorate anion and one chloride anion. A distortion of the perchlorate anion is due to its involvement in hydrogen-bonding interactions with the cations. The crystal structure is consolidated by intermolecular hydrogen bonds involving the 1,4,8,11-tetramethyl-1,4,8,11-tetraazoniacyclotetradecane N—H and C—H groups as donor groups, and the O atoms of the perchlorate and chloride anion as acceptor groups, giving rise to a three-dimensional network.

scholarly journals Crystal structure of octakis(N,N-dimethylformamide-κO)europium(III) tetracosa-μ2-oxido-dodecaoxido-μ12-phosphato-dodecamolybdate(VI)

2016 ◽  
Vol 72 (4) ◽  
pp. 448-451
Author(s):  
Yassine Ghandour ◽  
Imen Hammami ◽  
Shabir Najmudin ◽  
Cecilia Bonifácio ◽  
Mohamed Salah Belkhiria
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Network Structure ◽  
Complex Cation ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Keggin Type ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network

In the title salt, [Eu(C3H7NO)8][PMo12O40], the asymmetric unit comprises one α-Keggin-type [PMo12O40]3−polyoxidometalate anion and one distorted dodecahedral [Eu(C3H7NO)8]3+complex cation. In the crystal, the isolated polyoxidometalate anions are packed into hexagonally arranged rows extending parallel to [001]. The complex cations are situated between the rows and are linked to the neighbouring anions through weak C—H...O hydrogen-bonding interactions, leading to the formation of a three-dimensional network structure.

scholarly journals Hexaaquazinc(II) dinitrate bis[5-(pyridinium-3-yl)tetrazol-1-ide]

2018 ◽  
Vol 74 (9) ◽  
pp. 1231-1234
Author(s):  
Ignacio Chi-Duran ◽  
Javier Enriquez ◽  
Andres Vega ◽  
Felipe Herrera ◽  
Dinesh Pratap Singh
Keyword(s):  
Hydrogen Bonding ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Pyridinium Ring ◽  
Nitrate Anions

Hexaaquazinc(II) dinitrate 5-(pyridinium-3-yl)tetrazol-1-ide, [Zn(H2O)6](NO3)2·2C6H5N5, crystallizes in the space group P\overline{1}. The asymmetric unit contains one zwitterionic 5-(pyridinium-3-yl)tetrazol-1-ide molecule, one NO3 − anion and one half of a [Zn(H2O)6]2+ cation (\overline{1} symmetry). The pyridinium and tetrazolide rings in the zwitterion are nearly coplanar, with a dihedral angle of 5.4 (2)°. Several O—H...N and N—H...O hydrogen-bonding interactions exist between the [Zn(H2O)6]2+ cation and the N atoms of the tetrazolide ring, and between the nitrate anions and the N—H groups of the pyridinium ring, respectively, giving rise to a three-dimensional network. The 5-(pyridinium-3-yl)tetrazol-1-ide molecules show parallel-displaced π–π stacking interactions; the centroid–centroid distance between adjacent tetrazolide rings is 3.6298 (6) Å and that between the pyridinium and tetrazolide rings is 3.6120 (5) Å.

Self-Assembly of Organo-Sulfur, Selenium and Tellurium Compounds via π-π-Stacking and Hydrogen Bonding Interactions

2002 ◽  
Vol 57 (10) ◽  
pp. 1115-1119 ◽  
Author(s):  
Berthold Kersting
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Network Structure ◽  
Self Assembly ◽  
Three Dimensional ◽  
Carbonyl Oxygen ◽  
Selenium Compounds ◽  
Hydrogen Bonding Interactions ◽  
Π Stacking ◽  
Dimensional Network

AbstractThe crystal structures of 2-isopropyl-benzisothiazol-3-one-7-carboxylicacid isopropyl amide and of the corresponding selenium and tellurium derivatives have been determined. In contrast to the sulfur and selenium compounds, the tellurium derivative has an unprecedented three-dimensional network structure held together via π-π stacking and hydrogen bonding interactions. The cavities in the 3D molecular network are filled with guestwater molecules that are hydrogen bonded to carbonyl oxygen atoms.

scholarly journals 1-Hydroxy-3,4-dimethoxy-10-methylacridin-9-one

IUCrData ◽  
2020 ◽  
Vol 5 (8) ◽  
Author(s):  
Rodrigo S. A. de Araújo ◽  
Ernestine N. T. Zondegoumba ◽  
Whisthler L. D. Tankoua ◽  
Barthelemy Nyassé ◽  
Francisco J. B. Mendonça-Junior ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Least Squares ◽  
Title Compound ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Independent Molecules

There are two independent molecules in the asymmetric unit of the title compound, C16H15NO4, which was isolated from fruits of Zanthoxylum leprieurii. The atoms of the three rings of each molecule are close to coplanar with the largest deviations from the least-squares planes being 0.084 (3) Å and 0.069 (2) Å. Each molecule features an intramolecular O—H...·O hydrogen bond. In the crystal, C—H...·O hydrogen-bonding interactions link the molecules into a three-dimensional network.

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