scholarly journals Crystal structure ofcatena-poly[[bis(N-acethylthiomorpholine-κS)copper(I)]-μ-iodido]

Author(s):  
Hojae Chiang ◽  
Tae Ho Kim ◽  
Hyunjin Park ◽  
Jineun Kim

The reaction of copper(I) iodide withN-acetylthiomorpholine (L, C6H11NOS) in acetonitrile results in a coordination polymer with composition [CuI(L)2]n. The CuIatom is coordinated by two S atoms and two I atoms, adopting a distorted tetrahedral environment. The μ2-bridging mode of the I atoms gives rise to chains extending parallel to [010]. C—H...O hydrogen-bonding interactions between the chains lead to a three-dimensional network.

2006 ◽  
Vol 62 (4) ◽  
pp. m796-m798 ◽  
Author(s):  
Zerrin Heren ◽  
Cem Cüneyt Ersanlı ◽  
Cem Keser ◽  
Nazan Ocak Ískeleli

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.


Author(s):  
Yukiko Yamaguchi-Terasaki ◽  
Takashi Fujihara ◽  
Akira Nagasawa ◽  
Sumio Kaizaki

In the neutral complex molecule of the title compound,fac-[CrCl3(tpa)] [tpa is tris(pyridin-2-yl)amine; C15H12N4], the CrIIIion is bonded to three N atoms that are constrained to afacialarrangement by the tpa ligand and by three chloride ligands, leading to a distorted octahedral coordination sphere. The average Cr—N and Cr—Cl bond lengths are 2.086 (5) and 2.296 (4) Å, respectively. The complex molecule is located on a mirror plane. In the crystal, a combination of C—H...N and C—H...Cl hydrogen-bonding interactions connect the molecules into a three-dimensional network.


2007 ◽  
Vol 63 (3) ◽  
pp. m761-m763 ◽  
Author(s):  
Yan Jiao ◽  
Zhao-Rui Pan ◽  
Zhi-Jie Fang ◽  
Yi-Zhi Li ◽  
He-Gen Zheng

In the crystal structure of the title compound, [Ni(C6H4N2O4S)(H2O)3]·2.5H2O, the NiII atom is six-coordinated by one 2-(6-oxido-4-oxo-3,4-dihydropyimidin-2-ylsulfanyl)acetate ligand and three water molecules. Hydrogen-bonding interactions between the coordinated and uncoordinated water molecules and between the water molecules and the organic ligand result in a three-dimensional network structure.


Author(s):  
Nina R. Marogoa ◽  
D.V. Kama ◽  
Hendrik G. Visser ◽  
M. Schutte-Smith

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.


2015 ◽  
Vol 71 (2) ◽  
pp. 136-139
Author(s):  
Meng Wen ◽  
Zu-Ping Xiao ◽  
Chun-Ya Wang ◽  
Xi-He Huang

The title compound, {[Zn4(C8H4O4)3(OH)2(C12H6N2O2)2]·2H2O}n, has been prepared hydrothermally by the reaction of Zn(NO3)2·6H2O with benzene-1,4-dicarboxylic acid (H2bdc) and 1,10-phenanthroline-5,6-dione (pdon) in H2O. In the crystal structure, a tetranuclear Zn4(OH)2fragment is located on a crystallographic inversion centre which relates two subunits, each containing a [ZnN2O4] octahedron and a [ZnO4] tetrahedron bridged by a μ3-OH group. The pdon ligand chelates to zinc through its two N atoms to form part of the [ZnN2O4] octahedron. The two crystallographically independent bdc2−ligands are fully deprotonated and adopt μ3-κO:κO′:κO′′ and μ4-κO:κO′:κO′′:κO′′′ coordination modes, bridging three or four ZnIIcations, respectively, from two Zn4(OH)2units. The Zn4(OH)2fragment connects six neighbouring tetranuclear units through four μ3-bdc2−and two μ4-bdc2−ligands, forming a three-dimensional framework with uninodal 6-connected α-Po topology, in which the tetranuclear Zn4(OH)2units are considered as 6-connected nodes and the bdc2−ligands act as linkers. The uncoordinated water molecules are located on opposite sides of the Zn4(OH)2unit and are connected to it through hydrogen-bonding interactions involving hydroxide and carboxylate groups. The structure is further stabilized by extensive π–π interactions between the pdon and μ4-bdc2−ligands.


2012 ◽  
Vol 68 (4) ◽  
pp. o964-o965 ◽  
Author(s):  
Amna Qasem Ali ◽  
Naser Eltaher Eltayeb ◽  
Siang Guan Teoh ◽  
Abdussalam Salhin ◽  
Hoong-Kun Fun

In the title compound, C10H9ClN4OS, an intramolecular N—H...O hydrogen-bonding interaction and an N—H...N interaction generate ring motifs [graph setsS(6) andS(5), respectively]. In the crystal, molecules form a chain through N—H...O hydrogen bonds, and these are extended by N—H...S hydrogen-bonding interactions into an infinite three-dimensional network. The crystal structure also exhibits weak C—H...π interactions.


2015 ◽  
Vol 71 (10) ◽  
pp. 1199-1202 ◽  
Author(s):  
Selladurai Sathiskumar ◽  
Thangavelu Balakrishnan ◽  
Kandasamy Ramamurthi ◽  
Subbiah Thamotharan

In the title coordination polymer, {[Sr(C5H9NO2)(H2O)4]Br2}n, the proline molecule exists in a zwitterionic form with one of the ring C atoms disordered over two sites [site-occupancy factors = 0.57 (6):0.43 (6)]. The SrIIion is nine-coordinated by six water O atoms, two monodentate and two μ2-bridging, and three carboxylate O atoms of the proline ligands, with two bridging [Sr—O range = 2.524 (4)–2.800 (5) Å]. In the crystal, there is no direct interaction between the proline molecules. However, the proline and water molecules associate with the bromide counter-anions through a number of intermolecular O—H...Br and N—H...Br hydrogen-bonding interactions, giving a three-dimensional supramolecular structure.


2015 ◽  
Vol 71 (12) ◽  
pp. 1493-1496 ◽  
Author(s):  
Ghazala Naz ◽  
Muhammad Nawaz Tahir ◽  
Saeed Ahmad ◽  
Anvarhusein A. Isab ◽  
Mohammed Fettouhi

In the structure of the title compound, [CdCl2(C4H8N2S)2], the CdIIatom is coordinated by two chloride ions and two 1,3-diazinane-2-thione (Diaz) molecules through their S atoms. The geometry around the CdIIatom is distorted tetrahedral, with bond angles in the range 101.55 (7)–117.91 (8)°. The CH2groups of one Diaz ligand are disordered over two sets of sites with an occupancy ratio of 0.711 (12):0.289 (12). The molecular structure is stabilized by intramolecular N—H...Cl hydrogen-bonding interactions, generating a butterflysynconformation. Intermolecular N—H...Cl and N—H...S interactions lead to the formation of a three-dimensional network structure. The structure has been determined from a crystal twinned by nonmerohedry, by a 180° rotation around the reciprocalcaxis. The twin ratio refined to 0.8866 (6):0.1134 (6).


Author(s):  
Nicolas Chrysochos ◽  
Carola Schulzke

The title compound I, C13H10N2O2S2, crystallizes in the monoclinic space group C2/c with eight molecules in the unit cell. Excluding for the ethyl substituent, the molecule of I adopts a nearly coplanar conformation (r.m.s. deviations is 0.058 Å), which is supported by the intramolecular C—H...O hydrogen-bonding interaction between the two ring systems [C...O = 2.859 (3) Å]. In the crystal, the molecules form dimeric associates via two bifurcated C—H...O hydrogen-bonding interactions between an ene hydrogen atom and a carbonyl functional group of an adjacent molecule [C...O = 3.133 (3) Å] and vice versa. The crystal structure is further stabilized by a three-dimensional network of weak hydrogen bonds between one molecule and six adjacent molecules as well as offset π–π stacking. The combination of the quinoxaline 2(1H)-one moiety with the dithiocarbonate moiety extends the aromaticity of the quinoxaline scaffold towards the substituent as well as influencing the π-system of the quinoxaline. The title compound is the direct precursor for a dithiolene ligand mimicking the natural cofactor ligand molybdopterin.


2016 ◽  
Vol 72 (8) ◽  
pp. 1077-1080 ◽  
Author(s):  
Tristan Neumann ◽  
Inke Jess ◽  
Christian Näther

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).


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