scholarly journals Crystal structure of tris(phenylselenolato-κSe)tris(tetrahydrofuran-κO)thulium(III)

2014 ◽  
Vol 70 (11) ◽  
pp. m389-m389
Author(s):  
Esther M. Takaluoma ◽  
Raija Oilunkaniemi ◽  
Christian W. Lehmann ◽  
Risto S. Laitinen
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Rotation Axis ◽  
Van Der Waals ◽  
Van Der Waals Interactions ◽  
Octahedral Coordination ◽  
Coordination Environment ◽  
Bond Angles ◽  
Bond Lengths

In the title compound, [Tm(C6H5Se)3(C4H8O)3], the TmIIIatom lies on a threefold rotation axis and is coordinated by three phenylselenolate ligands and three tetrahydrofuran ligands leading to a distortedfac-octahedral coordination environment. The Tm—Se and Tm—O bond lengths are 2.7692 (17) and 2.345 (10) Å, respectively, and the bond angles are 91.32 (6)° for Se—Tm—Se, 92.6 (2) and 94.4 (2)° for Se—Tm—O, and 81.2 (3)° for O—Tm—O. In the crystal, the discrete complexes are linked by van der Waals interactions only. The crystal was refined as a non-merohedral twin (ratio = 0.65:0.35).

Tetrakis[(1-phenyltetrazol-5-yl)sulfanylmethyl]methane

2007 ◽  
Vol 63 (3) ◽  
pp. o1145-o1147 ◽  
Author(s):  
Alexander S. Lyakhov ◽  
Marina V. Zatsepina ◽  
Tatiana V. Artamonova ◽  
Pavel N. Gaponik ◽  
Grigorii I. Koldobskii
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Rotation Axis ◽  
Van Der Waals ◽  
Van Der Waals Interactions ◽  
Π Interactions ◽  
Compound C

The title compound, C33H28N16S4, prepared by the divergent method, presents a core unit for further synthesis of tetrazole-containing dendrimers. The central C atom lies on a crystallographic twofold rotation axis. π–π Interactions and weak non-classical C—H...N hydrogen bonds are responsible for the formation of layers parallel to the bc plane, with van der Waals interactions between them.

scholarly journals Crystal structure of bis(acetato-κ2 O,O′)diaqua[1-(pyridin-2-ylmethylidene-κN)-2-(pyridin-2-yl-κN)hydrazine-κN 1]terbium(III) nitrate monohydrate

2017 ◽  
Vol 73 (8) ◽  
pp. 1121-1124 ◽  
Author(s):  
NDiaye Mbossé Gueye ◽  
Dieng Moussa ◽  
Elhadj Ibrahima Thiam ◽  
Aliou Hamady Barry ◽  
Mohamed Gaye ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Water Molecules ◽  
Coordination Environment ◽  
Bond Lengths ◽  
Nitrate Anions ◽  
Trigonal Prismatic

In the title compound, [Tb(C2H3O2)2(C11H10N4)(H2O)2]NO3·H2O, the Tb3+ ion is nine-coordinated in a distorted tricapped trigonal-prismatic geometry by the three N atoms of the tridentate 1-(pyridin-2-ylmethylidene)-2-(pyridin-2-yl)hydrazine ligand, four carboxylate O atoms of two chelating acetate groups and two O atoms of the coordinating water molecules. The organic hydrazine ligand is disordered over two orientations with a refined occupancy ratio of 0.52 (3):0.48 (3). All bond lengths in the coordination environment of the Tb3+ ion are slightly larger than those observed in the isostructural Y3+ and Er3+ complexes. In the crystal, the complex cations are linked by pairs of O—H...O hydrogen bonds into dimers. These dimers, nitrate anions and non-coordinating water molecules are joined by O—H...O and N—H...O hydrogen bonds into a three-dimensional structure.

1,4-Bis[2,2-bis(trimethylsilyl)ethenyl]benzene

2007 ◽  
Vol 63 (11) ◽  
pp. o4357-o4357
Author(s):  
Piotr Pawluć ◽  
Bogdan Marciniec ◽  
Maciej Kubicki
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Van Der Waals ◽  
Van Der Waals Interactions ◽  
Compound C

The molecules of the title compound, C22H42Si4, are centrosymmetric. van der Waals interactions determine the crystal structure.

scholarly journals Crystal structure of the cage derivative pentacyclo[5.4.0.02,6.03,10.05,9]undeca-8,11-dione ethylene dithioketal

2014 ◽  
Vol 70 (10) ◽  
pp. 246-248
Author(s):  
Sambasivarao Kotha ◽  
Nampalli Sreenivasachary ◽  
Deepak Deodhar ◽  
Mobin Shaikh
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Single Bond ◽  
Bond Angles ◽  
Bond Lengths

The title pentacycloundecane cage derivative, C13H14OS2, was identified during a thioketalization reaction. The reaction selectively gave the title compound and the product corresponding to bis-ketal was not formed. The title compound exhibits unusual Csp3—Csp3single bond lengths ranging from 1.495 (3) to 1.581 (2) and strained bond angles as small as 89.29 (12) and as large as 115.11 (11)°.

Methyl [(1E)-(4-methoxyphenyl)methyleneamino]acetate

2007 ◽  
Vol 63 (3) ◽  
pp. o1459-o1461 ◽  
Author(s):  
Hector Novoa de Armas ◽  
Enriquez Ruiz Reyes ◽  
Esperanza Salfrán Solano ◽  
Margarita Suárez Navarro ◽  
Norbert Blaton
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Weak Interactions ◽  
Van Der Waals ◽  
Van Der Waals Interactions ◽  
Compound C ◽  
Methoxycarbonyl Group

In the title compound, C11H13NO3, the methoxycarbonyl group is rotated out of the plane of the 4-methoxybenzyl group. The conformation found in the crystal structure differs from that computed in vacuo, where the two groups are coplanar. The crystal structure is stabilized by van der Waals interactions and weak interactions of the C—H...O type.

scholarly journals Crystal structure of bis[(R,R)-1,2-(binaphthylphosphonito)ethane]dichloridoiron(II) dichloromethane disolvate

2020 ◽  
Vol 76 (9) ◽  
pp. 1525-1527
Author(s):  
Benjamin E. Rennie ◽  
Alan J. Lough ◽  
Robert H. Morris
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Rotation Axis ◽  
Solvent Molecule ◽  
Octahedral Coordination ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Π Interactions

In the title compound (systematic name: bis{1,2-bis[12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-13-yl]ethane}dichloridoiron(II) dichloromethane disolvate), [FeCl2(C42H28O4P2)2]·2CH2Cl2, the FeII ion lies on a crystallographic twofold rotation axis and is coordinated by four P atoms from two (R,R)-1,2-bis(binaphthylphosphonito)ethane (BPE) ligands and two Cl ligands in a distorted cis-FeCl2P4 octahedral coordination geometry. In the crystal, weak C—H...O and C—H...π interactions link the molecules into layers lying parallel to (001). A weak intramolecular C—H...O hydrogen bond is also observed. The asymmetric unit contains one CH2Cl2 solvent molecule, which is disordered over two sets of site with refined occupancies in the ratio 0.700 (6):0.300 (6).

scholarly journals (4RS)-Methyl 4-cyano-4-cyclohexyl-4-phenylbutanoate

2012 ◽  
Vol 68 (6) ◽  
pp. o1894-o1894
Author(s):  
Gui-Sheng Sun ◽  
Yu-Lai Hu ◽  
Dan-Feng Huang ◽  
Chang-Ming Xu
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Van Der Waals ◽  
Chair Conformation ◽  
Van Der Waals Interactions ◽  
Compound C

In the crystal structure of the title compound, C18H23NO2, there are only van der Waals interactions present. The cyclohexyl ring has a chair conformation. The longer axes of the displacement parameters of the non-H atoms forming the ethylmethylcarboxylate skeleton are perpendicular to the plane through the non-H atoms of this skeleton.

scholarly journals Ethyl (3-nitro-2-oxo-1,2-dihydropyridin-1-yl)acetate

2006 ◽  
Vol 62 (7) ◽  
pp. o2714-o2716 ◽  
Author(s):  
N. David Karis ◽  
Wendy A. Loughlin ◽  
Ian D. Jenkins ◽  
Peter C. Healy
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Van Der Waals ◽  
The Other ◽  
Van Der Waals Interactions ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules

The title compound, C9H10N2O5, crystallizes with two crystallographically independent molecules in the asymmetric unit. In the crystal structure, the nitropyridone rings are connected by weak C—H...O interactions, forming sheet-like arrays, which are in turn linked by C—H...π and π–π interactions between the nitropyridone rings on one side, and by C—H...O and van der Waals interactions between the ester groups on the other.

1-Benzoyl-3-[(2-benzylsulfanyl)phenyl]thiourea

2012 ◽  
Vol 68 (12) ◽  
pp. o485-o487 ◽  
Author(s):  
Tirtha Bhattacharjee ◽  
Prasanta Gogoi ◽  
Vedavati G. Puranik ◽  
Rupesh L. Gawade ◽  
Pranjit Barman
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Van Der Waals ◽  
Membered Ring ◽  
Van Der Waals Interactions ◽  
Intermolecular Hydrogen Bonds ◽  
Compound C

In the title compound, C21H18N2OS2, a strong intramolecular N—H...O hydrogen bond [N...O = 2.642 (3) Å] between the amide N atom and the benzoyl O atom forms an almost planar six-membered ring in the central part of the molecule. In the crystal, molecules are packed through weak N—H...S interactions. Intra- and intermolecular hydrogen bonds and van der Waals interactions are the stabilizing forces for the crystal structure.

scholarly journals Crystal structure of N,N,N′,N′-tetramethylethanediamine

2022 ◽  
Vol 78 (1) ◽  
Author(s):  
Tobias Schrimpf ◽  
Felix Otte ◽  
Carsten Strohmann
Keyword(s):  
Crystal Structure ◽  
Surface Analysis ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Van Der Waals ◽  
Hirshfeld Surface ◽  
Van Der Waals Interactions ◽  
Hirshfeld Surface Analysis ◽  
Organolithium Chemistry ◽  
Amine Ligand

The title compound N,N,N′,N′-tetramethylethanediamine, C6H16N2, is a bidentate amine ligand commonly used in organolithium chemistry for deaggregation. Crystals were grown at 243 K from n-pentane solution. The complete molecule is generated by a crystallographic center of symmetry and the conformation of the diamine is antiperiplanar. To investigate the intermolecular interactions, a Hirshfeld surface analysis was performed. It showed that H...H (van der Waals) interactions dominate with a contact percentage of 92.3%.

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