Metal complexes with chloride and triazole-based ligands: investigation of a well-resolved up–up–down–down (uudd) cyclic water tetramer andX—H...Cl (X= O and C) hydrogen-bonding interactions

2012 ◽  
Vol 68 (12) ◽  
pp. m344-m346 ◽  
Author(s):  
Jian-Hua Guo
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Equatorial Plane ◽  
Three Dimensional ◽  
Title Complex ◽  
Supramolecular Network ◽  
Inversion Symmetry ◽  
Hydrogen Bonding Interactions ◽  
Cobalt Compounds

The crystal structure of the title complex,trans-dichloridotetrakis[1-phenyl-3-(1H-1,2,4-triazol-1-yl-κN4)propan-1-one]copper(II) hexahydrate, [CuCl2(C11H11N3O)4]·6H2O, is isomorphous with that of the corresponding nickel and cobalt compounds. The complex has crystallographic inversion symmetry with the CuIIatom on an inversion centre. Each CuIIatom is six-coordinated by one N atom from each of the four 1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one ligands in the equatorial plane and by two chloride ligands in axial positions. The structure includes a centrosymmetric irregular up–up–down–down (uudd) water tetramer cluster and O—H...Cl hydrogen bonds. Intermolecular C—H...Cl hydrogen bonds exist between adjacent molecules, resulting in a three-dimensional supramolecular network.

Hexaaquamagnesium(II) 2-methyl-5-nitrobenzenesulfonate dihydrate

2007 ◽  
Vol 63 (3) ◽  
pp. m812-m814 ◽  
Author(s):  
Yong-Rong Xie ◽  
Gen-Wu Ge ◽  
Xiao-Yong Yuan ◽  
Dong-Bei Wan ◽  
Rui-Qing Yang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Three Dimensional ◽  
Title Complex ◽  
Complex Pattern ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Inversion Center ◽  
Hydrogen Bonding Interactions

In the title complex, [Mg(H2O)6](C7H6NO5)2·2H2O, the MgII cation lies on an inversion center and is octahedrally coordinated by six water molecules. The 2-methyl-5-nitrobenzenesulfonate anions do not coordinate to the magnesium, but act as counter-anions. The crystal structure is composed of alternating layers of [Mg(H2O)6]2+ cations and anions. The [Mg(H2O)6]2+ cations, water molecules and anions are connected through a complex pattern of hydrogen-bonding interactions, resulting in a three-dimensional supramolecular network.

scholarly journals Crystal structure of bis(benzoato-κO)[5,15-diphenyl-10,20-bis(pyridin-4-yl)porphyrinato-κ4 N,N′,N′′,N′′′]tin(IV)

IUCrData ◽  
2019 ◽  
Vol 4 (6) ◽  
Author(s):  
Nirmal K. Shee ◽  
Chang-Ju Lee ◽  
Hee-Joon Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Network Structure ◽  
Equatorial Plane ◽  
Title Compound ◽  
Three Dimensional ◽  
Title Complex ◽  
Porphyrin Ring ◽  
Ring Form ◽  
Dimensional Network

In the crystal structure of the title compound, [Sn(C42H26N6)(C7H5O2)2], the SnIV ion is located on a crystallographic inversion centre and is octahedrally coordinated with an N4O2 set. Four N atoms of the porphyrin ring form the equatorial plane while the axial positions are occupied by two O atoms from benzoate anions. The molecular packing of the title complex involves non-classical hydrogen bonds of the types C—H...O and C—H...N, leading to a three-dimensional network structure.

scholarly journals Crystal structure of bis[bis(4-azaniumylphenyl) sulfone] tetranitrate monohydrate

2017 ◽  
Vol 73 (11) ◽  
pp. 1721-1725 ◽  
Author(s):  
Amani Hind Benahsene ◽  
Lamia Bendjeddou ◽  
Hocine Merazig
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Supramolecular Network ◽  
Nitrate Salt ◽  
Hydrogen Bonding Interactions ◽  
Benzene Rings ◽  
Ring Centroid

In the title compound, the hydrated tetra(nitrate) salt of dapsone (4,4′-diaminodiphenylsulfone), 2C12H14N2O2S2+·4NO3−·H2O {alternative name: bis[bis(4,4′-diazaniumylphenyl) sulfone] tetranitrate monohydrate}, the cations are conformationally similar, with comparable dihedral angles between the two benzene rings in each of 70.03 (18) and 69.69 (19)°. In the crystal, mixed cation–anion–water molecule layers lying parallel to the (001) plane are formed through N—H...O, O—H...O and C—H...O hydrogen-bonding interactions and these layers are further extended into an overall three-dimensional supramolecular network structure. Inter-ring π–π interactions are also present [minimum ring centroid separation = 3.693 (3) Å].

scholarly journals Crystal structure of a nucleoside model for the interstrand cross-link formed by the reaction of 2′-deoxyguanosine and an abasic site in duplex DNA

2016 ◽  
Vol 72 (5) ◽  
pp. 624-627 ◽  
Author(s):  
Michael J. Catalano ◽  
Kasi Viswanatharaju Ruddraraju ◽  
Charles L. Barnes ◽  
Kent S. Gates
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Abasic Site ◽  
Cross Link ◽  
Hydrogen Bonding Interactions ◽  
Independent Molecules

The title compound, 9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-{[(2R,4S,5R)-4-methoxy-5-(methoxymethyl)tetrahydrofuran-2-yl]amino}-1H-purin-6(9H)-one, C17H25N5O7, crystallizes with two independent molecules (AandB) in the asymmetric unit. In the crystal, the guanosine moieties of moleculesAandBare linked by N—H...N and O—H...N hydrogen-bonding interactions, forming ribbons which are stacked to form columns along [100]. These columns are then linked by O—H...O hydrogen bonds between the ribose moieties and numerous C—H...O interactions to complete the three-dimensional 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 the lead-containing organic–inorganic hybrid: (C18H26N2)3[Pb4I14(DMSO)2]·2DMSO

2018 ◽  
Vol 74 (12) ◽  
pp. 1878-1880 ◽  
Author(s):  
Li Li ◽  
Dan Zhao ◽  
Zhi Liu ◽  
Dingchao Zhang ◽  
Zhenhao Hu ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Dimethyl Sulfoxide ◽  
Hybrid Materials ◽  
Three Dimensional ◽  
Supramolecular Network ◽  
Inorganic Hybrid ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Short Contacts

The title compound, tris(1,1′-dibutyl-4,4′-bipyridine-1,1′-diium) bis(dimethyl sulfoxide)di-μ3-iodido-tetra-μ2-iodido-octaiodidotetralead(II) dimethyl sulfoxide disolvate, (C18H26N2)3[Pb4I14(C2H6OS)2]·2C2H6OS, belongs to a class of organic–inorganic hybrid materials with novel functionalities. In this compound, C—H...O and C—H...I hydrogen-bonding interactions, π–π interactions, other short contacts and Pb octahedral chains are present, extending the crystal structure into a three-dimensional supramolecular network.

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 bis(1,3-diaminopropane-κ2N,N′)bis[2-(4-nitrophenyl)acetato-κO]cadmium

2016 ◽  
Vol 72 (2) ◽  
pp. 226-228
Author(s):  
Ian M. Rahn ◽  
Carlos L. Crawford ◽  
Zerihun Assefa ◽  
Jeffery Hendrich ◽  
Richard E. Sykora
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Network Structure ◽  
Layered Structure ◽  
Three Dimensional ◽  
Amino Groups ◽  
Coordination Environment ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network

In the structure of the title compound, [Cd(C8H6NO4)2(C3H10N2)2], the CdIIatom is located on a center of symmetry with one independent Cd—O distance of 2.3547 (17) Å and two Cd—N distances of 2.3265 (18) and 2.3449 (19) Å. The CdIIatom has an overall octahedral coordination environment. Several types of hydrogen-bonding interactions are evident. Both intra- and intermolecular interactions occur between the amino groups and the O atoms of the acetate group. These N—H...O hydrogen bonds lead to a layered structure extending parallel to thebcplane. In addition, weak intermolecular C—H...O interactions involving the nitro groups exist, leading to the formation of a three-dimensional network structure.

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