scholarly journals Bis(di-2-pyridylamine-κ2N2,N2')platinum(II) dibromide monohydrate

2012 ◽  
Vol 68 (4) ◽  
pp. m518-m518 ◽  
Author(s):  
Kwang Ha
Keyword(s):  
Lattice Water Molecule ◽  
Chelate Ring ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Water Molecules ◽  
Boat Conformation ◽  
Asymmetric Unit ◽  
Solvent Water ◽  
Dimensional Network ◽  
Square Planar

The asymmetric unit of the title compound, [Pt(C10H9N3)2]Br2·H2O, contains two crystallographically independent half-molecules of the cationic PtIIcomplex, two Br−anions and a lattice water molecule; an inversion centre is located at the centroid of each complex. Each PtIIion is four-coordinated in an essentially square-planar environment by four pyridine N atoms derived from the two chelating di-2-pyridylamine (dpa) ligands, and the PtN4unit is exactly planar. The chelate ring formed by the dpa ligand displays a boat conformation, with dihedral angles between the pyridine rings of 35.9 (2) and 41.0 (2)°. The complex cations, Br−anions and solvent water molecules are linked by O—H...Br, N—H...Br, C—H...O and C—H...Br hydrogen bonds, forming a three-dimensional network.

scholarly journals 9-Phenyl-4,5-diaza-9H-fluoren-9-ol monohydrate

2012 ◽  
Vol 68 (6) ◽  
pp. o1817-o1817
Author(s):  
Guo-Jie Yin ◽  
Gang-Bin Yang ◽  
Shi-Min Wang
Keyword(s):  
Phenyl Ring ◽  
Organic Molecules ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Solvent Water ◽  
Compound C ◽  
Dimensional Network

The title compound, C17H12N2O·H2O, was synthesized by the reaction of 4,5-diazafluoren-9-one with a Grignard reagent in ether (the reaction mixture being hydrolysed with saturated NH4Cl solution), and crystallizes with two organic molecules and two water molecules in the asymmetric unit. The 4,5-diazafluorene fragment is approximately planar, with r.m.s. deviations of 0.0448 and 0.0198 Å in the two molecules. The dihedral angles between the 4,5-diazafluorene planes and the phenyl ring are 80.49 (6) and 76.57 (7)°. The crystal packing features O—H...N and O—H...O hydrogen bonds involving the bridging solvent water molecules, which link the molecules into a three-dimensional network.

scholarly journals Ethyl 3-(9-chloro-10-oxo-9,10-dihydroanthracen-9-yl)-5-methylisoxazole-4-carboxylate

2014 ◽  
Vol 70 (3) ◽  
pp. o315-o316 ◽  
Author(s):  
Nathan S. Duncan ◽  
Howard D. Beall ◽  
Alison K. Kearns ◽  
Chun Li ◽  
Nicholas R. Natale
Keyword(s):  
Three Dimensional ◽  
Dihedral Angles ◽  
Boat Conformation ◽  
Asymmetric Unit ◽  
Torsion Angles ◽  
Isoxazole Ring ◽  
Compound C ◽  
Dimensional Network ◽  
Π Stacking Interaction ◽  
The Mean

The asymmetric unit of the title compound, C21H16ClNO4, contains two independent molecules (AandB), each adopting a conformation wherein the isoxazole ring is roughly orthogonal to the anthrone ring. The dihedral angle between the mean plane of the isoxazole (all atoms) and the mean plane of the anthrone (all atoms) is 88.48 (3)° in one molecule and 89.92 (4)° in the other. The ester is almost coplanar with the isoxazole ring, with mean-plane dihedral angles of 2.48 (15) and 8.62 (5)°. In both molecules, the distance between the ester carbonyl O atom and the anthrone ketone C atom is about 3.3 Å. The anthrone ring is virtually planar (r.m.s. deviations of 0.070 and 0.065 Å) and adopts a shallow boat conformation in each molecule, as evidenced by the sum of the six intra-B-ring torsion angles [41.43 (15) and 34.38 (15)° for moleculesAandB, respectively]. The closest separation between the benzene moieties of anthronesAandBis 5.1162 (7) Å, with an angle of 57.98 (5)°, consistent with an edge-to-face π-stacking interaction. In the crystal, weak C—H...O and C—H...N interactions link the molecules, forming a three-dimensional network.

scholarly journals Crystal structure ofN,N′-bis(pyridin-4-ylmethyl)cyclohexane-1,4-diammonium dichloride dihydrate

2016 ◽  
Vol 72 (10) ◽  
pp. 1453-1455 ◽  
Author(s):  
Suk-Hee Moon ◽  
Donghyun Kang ◽  
Ki-Min Park
Keyword(s):  
Pyridine Ring ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Chloride Anion ◽  
Water Molecules ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Solvent Water ◽  
Dimensional Network ◽  
The Mean

Treatment ofN,N-bis(pyridin-4-ylmethyl)cyclohexane-1,4-diamine with hydrochloric acid in ethanol led to the formation of the title salt, C18H26N42+·2Cl−·2H2O, which lies about a crystallographic inversion center at the center of the cyclohexyl ring. The asymmetric unit therefore comprises one half of theN,N-bis(pyridin-4-ylmethyl)cyclohexane-1,4-diammonium dication, a chloride anion, and a solvent water molecule. In the dication, the twotrans-(4-pyridine)–CH2–NH2– moieties occupy equatorial sites at the 1- and 4-positions of the central cyclohexyl ring, which is in a chair conformation. The terminal pyridine ring is tilted by 27.98 (5)° with respect to the mean plane of the central cyclohexyl moiety (r.m.s. deviation = 0.2379 Å). In the crystal, dications, anions, and solvent water molecules are connectedviaN/C/O—H...Cl and N—H...O hydrogen bonds together with C—H...π interactions, forming a three-dimensional network.

scholarly journals Synthesis and crystal structure of catena-poly[[bis[(2,2′;6′,2′′-terpyridine)manganese(II)]-μ4-pentathiodiantimonato] tetrahydrate] showing a 1D MnSbS network

2020 ◽  
Vol 76 (1) ◽  
pp. 32-37 ◽  
Author(s):  
Felix Danker ◽  
Christian Näther ◽  
Wolfgang Bensch
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Acta Cryst ◽  
Synthesis And Crystal Structure ◽  
Solvent Water ◽  
Dimensional Network ◽  
Terpyridine Ligands ◽  
Using Data

The asymmetric unit of the title compound, {[Mn2Sb2S5(C15H11N3)2]·4H2O} n , consists of two crystallographically independent MnII ions, two unique terpyridine ligands, one [Sb2S5]4− anion and four solvent water molecules, all of which are located in general positions. The [Sb2S5]4− anion consists of two SbS3 units that share common corners. Each of the MnII ions is fivefold coordinated by two symmetry-related S atoms of [Sb2S5]4− anions and three N atoms of a terpyridine ligand within an irregular coordination. Each two anions are linked by two [Mn(terpyridine)]2+ cations into chains along the c-axis direction that consist of eight-membered Mn2Sb2S4 rings. These chains are further connected into a three-dimensional network by intermolecular O—H...O and O—H...S hydrogen bonds. The crystal investigated was twinned and therefore, a twin refinement using data in HKLF-5 [Sheldrick (2015). Acta Cryst. C71, 3–8] format was performed.

scholarly journals Crystal structure of bis[1-(naphthalen-1-ylmethyl)pyridinium] bis(2,2-dicyanoethene-1,1-dithiolato-κ2S,S′)nickelate(II)

2014 ◽  
Vol 70 (8) ◽  
pp. 115-117
Author(s):  
Miao Zhang ◽  
Xu-Jie Xiong
Keyword(s):  
Chelate Ring ◽  
Three Dimensional ◽  
Direct Reaction ◽  
Asymmetric Unit ◽  
Planar Configuration ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Square Planar ◽  
Pyridinium Ring ◽  
Ring Centroid

A new ion-pair complex, (C16H14N)2[Ni(C4N2S2)2] or (1-NaMePy)2[Ni(imnt)2], where 1-NaMePy is 1-(4-naphthylmethylene)pyridinium and imnt is 2,2-dicyanoethene-1,1-dithiolate, was obtained by the direct reaction of NiCl2, K2imnt and (1-NaMePy)+Br−in H2O. The asymmetric unit contains a [1-NaMePy]+cation and one half of an Ni(imnt)22−anion. The NiIIion lies on an inversion centre and adopts a square-planar configuration with Ni—S bond lengths of 2.200 (1) and 2.216 (1) Å. In the [1-NaMePy]+cation, the naphthyl ringsystem and the pyridinium ring make a dihedral angle of 90.0 (2)°. In the crystal, C—H...N and C—H...Ni hydrogen bonds, as well as π–π interactions between the chelate ring and the pyridinium ring [centroid–centroid distance = 3.675 (2) Å] link the ions into a three-dimensional network.

scholarly journals Crystal structure of aquatris(isonicotinamide-κN)bis(thiocyanato-κN)cobalt(II) 2.5-hydrate

2016 ◽  
Vol 72 (9) ◽  
pp. 1263-1266
Author(s):  
Tristan Neumann ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Rotation Axis ◽  
Solvent Molecule ◽  
Three Dimensional ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Solvent Water ◽  
Water Solvent ◽  
Dimensional Network ◽  
Solvent Molecules ◽  
Short Contacts

The asymmetric unit of the title compound, [Co(NCS)2(C6H6N2O)3(H2O)]·2.5H2O, comprises one CoIIcation, three isonicotinamide ligands, two thiocyanate anions, one aqua ligand and two water solvent molecules in general positions, as well as one water solvent molecule that is located on a twofold rotation axis. The CoIIcations are octahedrally coordinated by two terminallyN-bonded thiocyanate anions, one water molecule and three isonicotinamide ligands, each coordinatingviathe pyridine N atom. The discrete complexes are linked by intermolecular O—H...O, N—H...O and N—H...S hydrogen bonding into a three-dimensional network that contains cavities in which the solvent water molecules are located. The latter are linked by further O—H...O hydrogen bonds to the network. There are additional short contacts present in the crystal, indicative of weak C—H...S, C—H...O and C—H...N interactions.

Three 2-(methysulfanyl)nicotinamides

2013 ◽  
Vol 69 (3) ◽  
pp. 293-298
Author(s):  
Ligia R. Gomes ◽  
John Nicolson Low ◽  
James L. Wardell ◽  
Alessandra C. Pinheiro ◽  
Thais C. N. de Mendonça ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Pyridine Ring ◽  
Three Dimensional ◽  
Amide Group ◽  
Dihedral Angles ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Molecular Conformations ◽  
Dimensional Network ◽  
Nicotinamide Derivatives

The molecular conformations of threeN-alkyl-2-(methylsulfanyl)nicotinamide derivatives, namelyN-cyclohexyl-2-(methylsulfanyl)nicotinamide, C13H18N2OS, (I),N-isopropyl-2-(methylsulfanyl)nicotinamide, C10H14N2OS, (II), in which there are two molecules in the asymmetric unit which were chosen to form a hydrogen-bonded pair, andN-(2-hydroxyethyl)-2-(methylsulfanyl)nicotinamide dihydrate, C9H12N2O2S·2H2O, (III), are compared with those of four unsubstitutedN-alkylnicotinamide compounds. The substituted compounds show a higher degree of torsion of the pyridine ring with respect to the amide group than do the unsubstituted compounds, with dihedral angles in the range 40–60° for the former and 20–35° for the latter. In (I) and (II), the supramolecular structure is defined by amide-N to carbonyl-O chains. In (III), the nicotinamide molecules are linked by hydrogen bonds to two water molecules resulting in two linked chains of rings which form the three-dimensional network.

scholarly journals Crystal structure of (E)-3-{[2-(2,4-dichlorobenzylidene)hydrazin-1-yl]carbonyl}pyridinium chloride trihydrate

2015 ◽  
Vol 71 (2) ◽  
pp. o105-o106
Author(s):  
J. Josephine Novina ◽  
G. Vasuki ◽  
M. Suresh ◽  
M. Syed Ali Padusha
Keyword(s):  
Organic Cation ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Water Molecules ◽  
Solvent Water ◽  
Hydrated Salt ◽  
Dimensional Network ◽  
Benzene Rings ◽  
The Mean ◽  
Chloride Trihydrate

In the title hydrated salt, C13H10Cl2N3O+·Cl−·3H2O, the organic cation exhibits a dihedral angle of 8.26 (14)° between the mean planes of the pyridinium and benzene rings, and dihedral angles of 8.70 (15) and 15.93 (5)° between the mean planes of the hydrazide group and the benzene and pyridinium rings, respectively. In the crystal, N—H...O, N—H...Cl, C—H...O, C—H...Cl, O—H...O, O—H...N and O—H...Cl hydrogen bonds link the complex cations, chloride anions and solvent water molecules into a three-dimensional network.

scholarly journals 9-(3,4-Dimethoxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione

2013 ◽  
Vol 69 (2) ◽  
pp. o297-o298 ◽  
Author(s):  
Rajni Kant ◽  
Vivek K. Gupta ◽  
Kamini Kapoor ◽  
D. R. Patil ◽  
D. R. Chandam ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Boat Conformation ◽  
Minor Components ◽  
Asymmetric Unit ◽  
Central Ring ◽  
Compound C ◽  
Dimensional Network

The asymmetric unit of the title compound, C25H31NO4, contains two independent molecules. In one molecule, the benzene ring and an attached methoxy group were refined as disordered over two sets of sites in a 0.65 (4): 0.35 (4) ratio. In both molecules, the central ring of the acridinedione system adopts a flattened boat conformation. The four essentially planar atoms of this ring [maximum deviations = 0.006 (5) Å in both molecules] forms dihedral angles of 86.8 (2) and 87.6 (2)°, respectively, with the major and minor components in the disordered benzene ring and 87.3 (2)° with the benzene ring in the fully ordered molecule. The two outer rings of the acridinedione system adopt sofa conformations in both molecules. In the crystal, N—H...O hydrogen bonds form two independent chains along [100]. C—H...O hydrogen bonds link the chains, forming a three-dimensional network.

scholarly journals 1-(4-Hydroxyphenyl)piperazine-1,4-diium tetrachloridocobalt(II) monohydrate

2014 ◽  
Vol 70 (2) ◽  
pp. m75-m75 ◽  
Author(s):  
Marwa Mghandef ◽  
Habib Boughzala
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Three Dimensional ◽  
Organic Cations ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Hybrid Compound ◽  
Organic Hybrid ◽  
Compound C ◽  
Dimensional Network

The asymmetric unit of the title inorganic–organic hybrid compound, (C10H16N2O)[CoCl4]·H2O, consists of a tetrahedral [CoCl4]2−anion, together with a [C10H18N2O]2+cation and a water molecule. Crystal cohesion is achieved through N—H...Cl, O—H...Cl and N—H...O hydrogen bonds between organic cations, inorganic anions and the water molecules, building up a three-dimensional network.

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