scholarly journals Poly[bis(μ6-benzene-1,3,5-tricarboxylato-κ7 O 1,O 1′:O 1′:O 3:O 3′:O 5:O 5′)tetrakis(dimethylformamide-κO)trimagnesium(II)]

2012 ◽  
Vol 68 (6) ◽  
pp. m852-m853
Author(s):  
Katarzyna Łuczyńska-Szymczak ◽  
Wojciech Starosta ◽  
Janusz Leciejewicz
Keyword(s):  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Three Dimensional Structure

The asymmetric unit of the polymeric title compound, [Mg3(C9H3O6)2(C3H7NO)4] n , contains three MgII ions bridged by carboxylate O atoms from two fully deprotonated benzene-1,3,5-tricarboxylate (BTC) trianions and four metal-coordinated dimethylformamide (DMF) molecules. One MgII ion is octahedrally coordinated by six carboxylate O atoms. The other two cations are each octahedrally coordinated by four carboxylate O atoms and two O atoms donated by two DMF molecules: in one, the DMF molecules are cis and in the other they are trans. The three MgII octahedra form clusters, which are bridged by the BTC trianions, generating a three-dimensional structure.

scholarly journals Bis(μ2-4-nitrophenolato)bis(4-nitrophenolato)di-μ3-oxido-octaphenyltetratin chloroform sesquisolvate [+ solvate]: a tetranuclear stannoxane

IUCrData ◽  
2019 ◽  
Vol 4 (8) ◽  
Author(s):  
Patrick Butler
Keyword(s):  
Hydrogen Bonds ◽  
Electron Density ◽  
Three Dimensional ◽  
The Other ◽  
Dimensional Structure ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Acta Cryst ◽  
Complex Molecules ◽  
Three Dimensional Structure

The title tetranuclear stannoxane, [Sn4(C6H5)8(C6H4NO3)4O2]·1.5CHCl3·solvent, crystallized with two independent complex molecules, A and B, in the asymmetric unit together with 1.5 molecules of chloroform. There is also a region of disordered electron density, which was corrected for using the SQUEEZE routine [Spek (2015). Acta Cryst. C71, 9–18]. The oxo-tin core of each complex is in a planar `ladder' arrangement and each Sn atom is fivefold SnO3C2 coordinated, with one tin centre having an almost perfect square-pyramidal coordination geometry, while the other three Sn centres have distorted shapes. In the crystal, the complex molecules are arranged in layers, composed of A or B complexes, lying parallel to the bc plane. The complex molecules are linked by a number of C—H...O hydrogen bonds within the layers and between the layers, forming a supramolecular three-dimensional structure.

scholarly journals Bis(4-benzoyl-3-methyl-1-phenyl-1H-pyrazol-5-olato-κ2O,O′)bis(ethanol-κO)cobalt(II)

2012 ◽  
Vol 68 (8) ◽  
pp. m1107-m1108 ◽  
Author(s):  
Omoruyi G. Idemudia ◽  
Eric C. Hosten
Keyword(s):  
Hydrogen Bonds ◽  
Hydroxy Group ◽  
Title Compound ◽  
Negative Charge ◽  
Three Dimensional ◽  
Cobalt Complexes ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Ethanol Molecule ◽  
Three Dimensional Structure

The title compound, [Co(C17H13N2O2)2(C2H5OH)2], is a CoIIcomplex with two 4-benzoyl-3-methyl-1-phenyl-1H-pyrazol-5-olate (BMPP) ligands and two coordinating ethanol molecules. In the asymmetric unit, there are two half molecules, with the CoIIatoms located on inversion centres. The two cobalt complexes have slightly different geometries and in one, the ethyl group of the ethanol is disordered over two sets of sites [occupancy ratio 0.757 (7):0.243 (7)]. Each BMPP ligand is deprotonated with the negative charge delocalized. The hydroxy group of each ethanol molecule forms hydrogen bonds with a pyrazole N atom in an adjacent BMPP ligand. Weaker C—H...O and C—H...N interactions link the molecules into a three-dimensional structure.

scholarly journals 4-Ethynyl-N,N-diphenylaniline

2013 ◽  
Vol 69 (11) ◽  
pp. o1722-o1722
Author(s):  
Wan-Qiang Wang
Keyword(s):  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Planar Geometry ◽  
Asymmetric Unit ◽  
Three Dimensional Structure ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules

The asymmetric unit of the title compound, C20H15N, comprises two crystallographically independent molecules (AandB). In each molecule, the N atom adopts an approximately trigonal planar geometry, lying 0.009 (1) or 0.003 (1) Å from the plane defined by the C atoms of the aromatic substituents to which it is attached. In the crystal, molecules are linkedviaC—H...π interactions, forming a three-dimensional structure.

scholarly journals Crystal structure of 3,13-dimethoxy-5,6,10,11-tetrahydrofuro[3,4-i][5]helicene-7,9-dione

2014 ◽  
Vol 70 (11) ◽  
pp. 418-420 ◽  
Author(s):  
Thanasat Sooksimuang ◽  
Siriporn Kamtonwong ◽  
Waraporn Parnchan ◽  
Laongdao Kangkaew ◽  
Somboon Sahasithiwat
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Layered Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Three Dimensional Structure ◽  
Compound C ◽  
Independent Molecules

The title compound, C26H20O5, crystallizes with two independent molecules (AandB) in the asymmetric unit, which differ primarily in the location of the –OCH3groups. In the crystal, the molecules form a layered structure parallel to (10-1) by C—H...O hydrogen-bonded networks. Adjacent layers are also linked by further C—H...O hydrogen bonds, forming a three-dimensional structure.

scholarly journals 1-(Furan-2-yl)-2-(2H-indazol-2-yl)ethanone

2014 ◽  
Vol 70 (4) ◽  
pp. o505-o505 ◽  
Author(s):  
Özden Özel Güven ◽  
Gökhan Türk ◽  
Philip D. F. Adler ◽  
Simon J. Coles ◽  
Tuncer Hökelek
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Three Dimensional Structure ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Independent Molecules

The asymmetric unit of the title compound, C13H10N2O2, contains two crystallographically independent molecules (AandB). The indazole ring systems are approximately planar [maximum deviations = 0.0037 (15) and −0.0198 (15) Å], and their mean planes are oriented at 80.10 (5) and 65.97 (4)° with respect to the furan rings in moleculesAandB, respectively. In the crystal, pairs of C—H...N hydrogen bonds link theBmolecules, forming inversion dimers. These dimers are bridged by theAmoleculesviaC—H...O hydrogen bonds, forming sheets parallel to (011). There are also C—H...π interactions present, and π–π interactions between neighbouring furan and the indazole rings [centroid–centroid distance = 3.8708 (9) Å] of inversion-related molecules, forming a three-dimensional structure.

scholarly journals Synthesis and crystallographic characterization of a mononuclear cobalt(III) complex possessing both thiolate and thioether donors: reactivity of an thiolate-bridged pentanuclear Co2Ag3complex with iodomethane

2017 ◽  
Vol 73 (5) ◽  
pp. 678-681
Author(s):  
Yosuke Fukuda ◽  
Nobuto Yoshinari ◽  
Takumi Konno
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Mononuclear Complex ◽  
The Other ◽  
Dimensional Structure ◽  
Cationic Complex ◽  
Three Dimensional Structure ◽  
Mononuclear Cobalt

Treatment of an S-bridged pentanuclear AgI3CoIII2complex, [Ag3{Co(L)}2]3+[L3–= N(CH2NHCH2CH2S−)3], in which two tris(thiolate)-type mononuclear CoIIIunits ([Co(L)]) are bridged by three AgIions through S atoms, with iodomethane (CH3I) gave a new CoIIImononuclear complex, [Co(LMe2)]2+[LMe2−= N(CH2NHCH2CH2S−)(CH2NHCH2CH2SCH3)2], systematic name: {2-[(bis{[2-(methylsulfanyl)ethyl]aminomethyl}aminomethyl)amino]ethanethiolato}cobalt(III) bis(hexafluoridophosphate). This cationic complex was crystallized with PF6−anions to form the title compound, [Co(LMe2)](PF6)2. In the [Co(LMe2)]2+cation, two of three thiolate groups in [Co(L)] are methylated while one thiolate group remains unreacted. Although a total of eight stereoisomers are possible for [Co(LMe2)]2+, only a pair of enantiomers {ΛRR- and ΔSS-[Co(LMe2)]2+} are selectively formed. In the crystal, the complex cations and the PF6−anions are connected through weak N—H...F, C—H...F and C—H...S hydrogen bonds into a three-dimensional structure. Two F atoms in one PF6anion are disordered over two sets of sites with refined occupancies of 0.61 (4) and 0.39 (4) and two F atoms in the other PF6−anion are disordered over two sets of sites with occupancies of 0.5.

Poly[bis(μ-5-iodoisophthalato)(methanol)dilead(II)] exhibiting a novel centrosymmetric rhombus-shaped I4unit

2013 ◽  
Vol 69 (5) ◽  
pp. 494-497 ◽  
Author(s):  
Shao-Hua Luo
Keyword(s):  
Hydrogen Bond ◽  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
Methanol Molecule ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
One Dimensional ◽  
Carboxylate Groups

The asymmetric unit of the title compound, [Pb2(C8H3IO4)2(CH4O)]n, contains two PbIIatoms, two 5-iodoisophthalate (5-IIP2−) ligands and one coordinated methanol molecule. One Pb atom is eight-coordinated, surrounded by seven carboxylate O atoms from five 5-IIP2−ligands and one O atom from the terminal methanol ligand. The other Pb atom is seven-coordinated in a hemidirected geometry, surrounded by seven carboxylate O atoms from five 5-IIP2−ligands. Both Pb atoms are connected by carboxylate groups to form a one-dimensional infinite rod along theaaxis; neighbouring rods are further linked by the aromatic rings of 5-IIP2−to generate the final three-dimensional structure with channels in theadirection. An O—H...O hydrogen bond between the methanol ligand and one of the carboxylate groups of a 5-IIP2−ligand stablizes the three-dimensional framework. Interestingly, a centrosymmetric rhombus-shaped I4unit is formed by four 5-IIP2−ligands, with I...I distances of 3.8841 (8) and 3.9204 (8) Å.

scholarly journals 1-Acetyl-5-methoxy-4-(phenylsulfanyl)imidazolidin-2-one

2014 ◽  
Vol 70 (2) ◽  
pp. o145-o146
Author(s):  
Joel T. Mague ◽  
Alaa A.-M. Abdel-Aziz ◽  
Adel S. El-Azab ◽  
Amer M. Alanazi
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Three Dimensional Structure ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules

The title compound, C12H14N2O3S, crystallizes with two independent molecules (AandB) in the asymmetric unit. The five-membered imidazolidin-2-one rings in both molecules are twisted about the C—C bond. In the crystal, theAandBmolecules are associatedviapairs of N—H...O hydrogen bonds, formingA–Bdimers. These dimers are linkedviaC—H...S hydrogen bonds, forming double dimers, which are in turn linkedviaC—H...O hydrogen bonds forming two-dimensional networks lying parallel to (001). There are also C—H...π interactions present, which consolide the layers and link them, so forming a three-dimensional structure.

scholarly journals N′-[(E)-4-Methoxybenzylidene]-2-(4-methylphenoxy)acetohydrazide

IUCrData ◽  
2016 ◽  
Vol 1 (11) ◽  
Author(s):  
Seranthimata Samshuddin ◽  
S. Naveen ◽  
Dandavathi Arunkumar ◽  
A. Mahesha ◽  
N. K. Lokanath ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Three Dimensional Structure ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules

The title compound, C17H18N2O3, crystallizes with two independent molecules (AandB) in the asymmetric unit. The dihedral angle between the 4-methoxyphenyl ring and the toluene ring is 88.13 (10)° in moleculeAand 61.47 (10)° in moleculeB. In the crystal, molecules are linkedviapairs of N—H...O hydrogen bonds, formingA–AandB–Binversion dimers withR22(8) ring motifs. TheB–Bdimers are linked by C—H...O hydrogen bonds, forming chains propagating along the [110] direction. The molecules are also linked by a series of C—H...π interactions, forming a three-dimensional structure.

scholarly journals Disodium tris(dioxidomolybdenum) bis(diarsenate)

2012 ◽  
Vol 68 (4) ◽  
pp. i24-i24 ◽  
Author(s):  
Raja Jouini ◽  
Mohamed Faouzi Zid ◽  
Ahmed Driss
Keyword(s):  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Three Dimensional Structure ◽  
Anionic Framework

The asymmetric unit of the title compound, Na2(MoO2)3(As2O7)2, is composed of two cyclic MoAs2O11units and an MoO6corner-sharing octahedron. The anionic framework can be decomposed into two types of layers,viz.MoO2As2O7and Mo2As2O14, which use mixed Mo—O—As and As—O—Mo bridges to achieve a new three-dimensional structure with two types of large channels in which the Na+cations are located. Two O atoms are disordered and are located in two positions close to their initial positions with occupancy ratios of 0.612 (17):0.388 (17) and 0.703 (12):0.298 (12).

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