scholarly journals Crystal structure of azido(η5-cyclopentadienyl)bis(triphenylphosphane-κP)ruthenium(II) dichloromethane hemisolvate

2014 ◽  
Vol 70 (10) ◽  
pp. m345-m346
Author(s):  
Adriana Hernández-Calva ◽  
Lidia Meléndez-Balbuena ◽  
Maribel Arroyo ◽  
Armando Ramírez-Monroy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Intermolecular Interaction ◽  
Canonical Form ◽  
Rotation Axis ◽  
Solvent Molecule ◽  
Hydrogen Bonding Interaction ◽  
Acta Cryst ◽  
Bonding Interaction ◽  
Cl Atoms

The title solvated complex, [Ru(η5-C5H5)(N3){P(C6H5)3}2]·0.5CH2Cl2, displays a typical piano-stool geometry about the RuIIatom. The bond lengths and angles of the cyclopentadienyl and phosphane ligands are very similar to that of the unsolvated complex [Taqui Khanet al.(1994).Acta Cryst.C50, 502–504]. The azide anion displays similar N—N distances of 1.173 (3) and 1.156 (3) Å and has an N—N—Ru angle of 119.20 (15)°, indicating a greater contribution of the canonical form Ru—N=N(+)=N(-)for the bonding situation. An intramolecular C—H...N hydrogen-bonding interaction between oneorthoH atom of a phosphane ligand and the N atom coordinating to the metal is observed. A similar intermolecular interaction is observed between ametaH atom of a phosphane ligand and the terminal azide N atom of a neighbouring complex. Finally, two C—H...N interactions exists between the H atoms of the dichloromethane solvent molecule and the terminal N atom of two azide anions. The solvent molecule is located about a twofold rotation axis and shows disorder of the Cl atoms with an occupancy ratio of 0.62 (3):0.38 (3).

scholarly journals Crystal structure of (methanol-κO)[5,10,15,20-tetrakis(2-aminophenyl)porphyrinato-κ4 N]zinc(II)–chloroform–methanol (1/1/1)

2018 ◽  
Vol 74 (9) ◽  
pp. 1285-1289 ◽  
Author(s):  
Lisa Leben ◽  
Christian Näther ◽  
Rainer Herges
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Electron Density ◽  
Solvent Molecule ◽  
Methanol Molecule ◽  
Acta Cryst ◽  
Picket Fence ◽  
Phenyl Rings ◽  
Residual Electron Density ◽  
Solvent Molecules

In the crystal structure of the title compound, [Zn(C44H32N8)(CH3OH)]·CHCl3·CH3OH, the ZnII cation is coordinated by four porphyrin N and one methanol O atom within a slightly distorted square-pyramidal environment and is shifted out of the porphyrin plane towards the direction of the methanol molecule. The methyl group of the coordinating methanol molecule is disordered over two sets of sites. The porphyrin backbone is nearly planar and the phenyl rings are almost perpendicular to the porphyrin plane. As is typical for picket-fence porphyrins, all four ortho substituents of the meso-phenyl groups (here the amino groups) are facing to the same side of the porphyrin molecule. In the crystal structure, two neighbouring porphyrin complexes form centrosymmetric dimers that are connected via O—H...N hydrogen bonding. With the aid of additional N—H...N and C—H...N hydrogen bonding, these dimers are stacked into columns parallel to [010] that are finally arranged into layers parallel to (001). Between these layers channels are formed where chloroform solvent molecules are located that are connected to the porphyrin complexes by weak C—H...Cl hydrogen bonding. There are additional cavities in the structure where some small residual electron density is found, indicating the presence of disordered methanol molecules, but a reasonable model could not be refined. Therefore the contribution of the electron density associated with the methanol solvent molecule was removed with the SQUEEZE procedure [Spek (2015). Acta Cryst. C71, 9–18] in PLATON. Nevertheless, the given chemical formula and other crystal data take into account the methanol solvent molecule.

scholarly journals (Z)-2-(5-Chloro-2-oxoindolin-3-ylidene)-N-methylhydrazinecarbothioamide

2012 ◽  
Vol 68 (4) ◽  
pp. o964-o965 ◽  
Author(s):  
Amna Qasem Ali ◽  
Naser Eltaher Eltayeb ◽  
Siang Guan Teoh ◽  
Abdussalam Salhin ◽  
Hoong-Kun Fun
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Three Dimensional ◽  
Hydrogen Bonding Interaction ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Bonding Interaction ◽  
A Chain ◽  
Graph Sets

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.

scholarly journals 2-[(E)-(2-Aminophenyl)iminomethyl]-5-(dimethylamino)phenol

2009 ◽  
Vol 65 (6) ◽  
pp. o1232-o1232
Author(s):  
Yan-Hong Yu ◽  
Kun Qian
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Double Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Hydrogen Bonding Interaction ◽  
Compound C ◽  
Bonding Interaction ◽  
Benzene Rings

The molecule of the title compound, C17H21N3O, displays atransconfiguration with respect to the C=N double bond. The dihedral angle between the planes of the two benzene rings is 50.96 (11)° and a strong intramolecular O—H...N hydrogen bond is present. An intermolecular N—H...O hydrogen-bonding interaction stabilizes the crystal structure.

Hydrogen bonding interaction of diphenylbarbituric acid and 9-ethyladenine. Crystal structure of a 1:1 comple×

2000 ◽  
Vol 78 (8) ◽  
pp. 1045-1051 ◽  
Author(s):  
Arthur Camerman ◽  
Donald Mastropaolo ◽  
Andrew Hempel ◽  
Norman Camerman
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonding Interaction ◽  
Bonding Interaction

Bis[1-(but-2-enyl)-5-nitro-1H-benzimidazole-κN 3]dichlorocobalt(II)

2006 ◽  
Vol 62 (7) ◽  
pp. m1663-m1665 ◽  
Author(s):  
Şerife Pınar ◽  
Mehmet Akkurt ◽  
Hasan Küçükbay ◽  
Ersin Orhan ◽  
Orhan Büyükgüngör
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Rotation Axis ◽  
Tetrahedral Geometry ◽  
Distorted Tetrahedral Geometry ◽  
Hydrogen Bonding Interactions ◽  
Cobalt Dichloride ◽  
Cl Atoms

The title compound, [CoCl2(C11H11N3O2)2], was synthesized from 1-(but-2-enyl)-5-nitrobenzimidazole and cobalt dichloride in ethanol. The CoII atom has a distorted tetrahedral geometry, coordinated by two Cl atoms and two N atoms. The molecule is located on a twofold rotation axis, which passes through the Co atom. In the crystal structure, molecules are connected by intermolecular C—H...O hydrogen-bonding interactions.

Synthesis and Crystal Structure of N-[(15,4R)-2-Oxo-pinanyl]-β-alanine Methylester

1998 ◽  
Vol 53 (10) ◽  
pp. 1188-1190 ◽  
Author(s):  
Barbara Albert ◽  
Martin Jansen ◽  
Jörg Jakobi ◽  
Eberhard Steckhan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Amino Acid ◽  
Title Compound ◽  
Amino Acid Derivatives ◽  
Hydrogen Bonding Interaction ◽  
Electrochemical Preparation ◽  
Synthesis And Crystal Structure ◽  
Bonding Interaction ◽  
Amine Function

AbstractThe title compound, N-[(lS,4R)-2-oxo-pinanyl]-β-alanine methylester, is an important starting material for the electrochemical preparation of chiral amidoalkylation reagents in the synthesis of chiral β-substituted β-amino acid derivatives. The investigation of its crystal structure reveals an arrangement of the carbonyl group and the amine function, which is influenced by a hydrogen bonding interaction. This conformation makes the molecule especially appropriate for further synthetical modification

scholarly journals Crystal structure of morpholin-4-ium cinnamate

2015 ◽  
Vol 71 (11) ◽  
pp. o850-o851 ◽  
Author(s):  
Graham Smith
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Cinnamic Acid ◽  
Torsion Angle ◽  
Chain Structure ◽  
Side Chain ◽  
Hydrogen Bonding Interaction ◽  
Bonding Interaction ◽  
A Chain

In the anhydrous salt formed from the reaction of morpholine with cinnamic acid, C4H10NO+·C9H7O2−, the acid side chain in thetrans-cinnamate anion is significantly rotated out of the benzene plane [C—C—C— C torsion angle = 158.54 (17)°]. In the crystal, one of the the aminium H atoms is involved in an asymmetric three-centre cation–anion N—H...(O,O′)R12(4) hydrogen-bonding interaction with the two carboxylate O-atom acceptors of the anion. The second aminium-H atom forms an inter-species N—H...Ocarboxylatehydrogen bond. The result of the hydrogen bonding is the formation of a chain structure extending along [100]. Chains are linked by C—H...O interactions, forming a supramolecular layer parallel to (01-1).

scholarly journals 4′-[2-(2-Ethoxyethoxy)ethoxy]biphenyl-4-carboxylic acid: correlation between its crystalline and smectic phases

2009 ◽  
Vol 65 (3) ◽  
pp. o81-o84 ◽  
Author(s):  
Rosana S. Montani ◽  
Raúl O. Garay ◽  
Fabio D. Cukiernik ◽  
Maria T. Garland ◽  
Ricardo Baggio
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Title Compound ◽  
Carboxyl Groups ◽  
Hydrogen Bonding Interaction ◽  
Compound C ◽  
Smectic Phases ◽  
Bonding Interaction ◽  
Smectic Mesophase

The crystal structure of the dimeric title compound, C19H22O5, is dominated by a head-to-head hydrogen-bonding interaction between centrosymmetrically related carboxyl groups in each monomer. The result is a dimeric axis of unusual length (ca34 Å), but still shorter than what could be expected for a fully extended chain, owing to two turning points in the oligoethoxy ends. This allows for an explanation of the structure of the smectic mesophase exhibited by this compound and at the same time fully validates former geometric estimations based on PM3 calculations.

scholarly journals Crystal structure of bis[4-(4-chlorobenzyl)pyridine-κN]bis(thiocyanato-κN)zinc

2014 ◽  
Vol 70 (10) ◽  
pp. m355-m356
Author(s):  
Julia Werner ◽  
Tristan Neumann ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Rotation Axis ◽  
Dispersion Forces ◽  
Hydrogen Bonding Interaction ◽  
Asymmetric Unit ◽  
Distorted Tetrahedron ◽  
Pyridine Ligands ◽  
Intermolecular Hydrogen Bonding Interaction ◽  
Bonding Interaction ◽  
Discrete Complex

In the crystal structure of the title compound, [Zn(NCS)2(C12H10ClN)2], the Zn2+cation isN-coordinated by two terminally bonded thiocyante anions and by two 4-(4-chlorobenzyl)pyridine ligands within a slightly distorted tetrahedron. The asymmetric unit consists of half of the discrete complex, the central Zn2+cation of which is located on a twofold rotation axis. The discrete complexes are linked into layersviaa weak intermolecular hydrogen-bonding interaction, with a H...Cl distance of 2.85 Å and a C—H...Cl angle of 151°. These layers extend parallel to theabplane and are held together by dispersion forces only.

scholarly journals Crystal structure of a Pd4carbonyl triphenylphosphane cluster [Pd4(CO)5(PPh3)4]·2C4H8O, comparing solvates

2016 ◽  
Vol 72 (2) ◽  
pp. 120-123 ◽  
Author(s):  
Koen Robeyns ◽  
Christopher Willocq ◽  
Bernard Tinant ◽  
Michel Devillers ◽  
Sophie Hermans
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Rotation Axis ◽  
Complex Molecule ◽  
Solvent Molecule ◽  
Gold Complexes ◽  
Acta Cryst ◽  
Gradual Loss ◽  
Solvent Molecules

Attempts to synthesize Au–Pd heterometallic compounds from homonuclear palladium or gold complexes, [Pd(PtBu2)2] and [Au(PPh3)Cl] in a tetrahydrofuran (THF) solution under a CO atmosphere resulted in a homonuclear Pd cluster, namely pentakis(μ-carbonyl-κ2C:C)tetrakis(triphenylphosphane-κP)tetrapalladium(5Pd—Pd) tetrahydrofuran disolvate, [Pd4(CO)5(C18H15P)4]·2C4H8O. The complex molecule lies on a twofold rotation axis. The crystal structure is described in relation to the CH2Cl2solvate previously determined by our group [Willocqet al.(2011).Inorg. Chim. Acta,373, 233–242], and in particular to the desolvated structure [Felthamet al.(1985).Inorg. Chem.24, 1503–1510]. It is assumed that the title compound transforms into the latter structure, upon gradual loss of solvent molecules. In the title compound, the symmetry-unique THF solvent molecule is linked to the complex molecule by a weak C—H...O hydrogen bond. Contributions of disordered solvent molecules to the diffraction intensities, most likely associated with methanol, were removed with the SQUEEZE [Spek (2015).Acta Cryst.C71, 9–18] algorithm.

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