scholarly journals [2,2′-Bis(diphenylphosphanyl)-1,1′-binaphthyl-κ2 P,P′]dichloridoplatinum(II) acetonitrile trisolvate

IUCrData ◽  
2020 ◽  
Vol 5 (8) ◽  
Author(s):  
Jason D. Braun ◽  
Guneet Uppal ◽  
David E. Herbert
Keyword(s):  
Crystal Structure ◽  
Intermolecular Interactions ◽  
Single Molecule ◽  
Title Compound ◽  
Unit Cell ◽  
Asymmetric Unit ◽  
Π Stacking ◽  
Solvent Molecules

The crystal structure (150 K) of the racemic title compound, [PtCl2(C44H32P2)]·3CH3CN, has been determined. The asymmetric unit comprises a single molecule of the title compound co-crystallized with three acetonitrile solvent molecules. Four molecules are observed in the unit cell, with R and S enantiomers present in a 2:2 ratio. Evidence of intramolecular π-stacking is observed with no discernable intermolecular interactions.

A new ring-like arrangement of vanadyl(IV) groups bridged by monodentate alkoxides:cyclo-decakis(μ-cyclohexylmethanolato)pentakis[oxidovanadium(IV)]

2012 ◽  
Vol 68 (12) ◽  
pp. m353-m355
Author(s):  
Danilo Stinghen ◽  
Janaina G. Ferreira ◽  
Giovana G. Nunes ◽  
Jaísa F. Soares
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Unit Cell ◽  
Asymmetric Unit ◽  
Nmr Studies ◽  
Ring Topology ◽  
Triclinic Unit Cell

The pentanuclear title compound, [V5(C7H13O)10O5], has a metal–oxygen core that consists of five vanadyl(IV) centres bridged by the O atoms of cyclohexylmethanolate ligands. This particular ring topology is new to oxovanadium(IV) chemistry and resembles the structure proposed for [V5O15]5−on the basis of51V NMR studies in aqueous solution. The bulky cyclohexylmethanolate ligands adopt chair-like conformations and project outwards from the central cyclic core. The title compound crystallizes in a centrosymmetric triclinic unit cell, which contains four independent but chemically identical molecules in the asymmetric unit. The crystal structure is devoid of any significant intermolecular interactions.

2,4-Diamino-6-phenyl-1,3,5-triazin-1-ium nitrate: intriguing crystal structure with high Z′/Z′′ and hydrogen bond numbers and Hirshfeld surface analysis of intermolecular interactions

CrystEngComm ◽  
2021 ◽  
Author(s):  
Nicoleta Caimac ◽  
Elena Melnic ◽  
Diana Chisca ◽  
Marina S. Fonari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Surface Analysis ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Ionic Species ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Asymmetric Unit ◽  
Space Group

The title compound crystallises in the triclinic centrosymmetric space group P1̄ with an intriguing high number of crystallographically unique binary salt-like adducts (Z′ = 8) and a total number of ionic species (Z′′ = 16) in the asymmetric unit.

3-n-Butyl-2-methoxy-1-benzothieno[3,2-d]pyrimidin-4(3H)-one

2006 ◽  
Vol 62 (4) ◽  
pp. o1319-o1320 ◽  
Author(s):  
Min-Hui Cao ◽  
Sheng-Zhen Xu ◽  
Yang-Gen Hu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Thiophene Ring ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Independent Molecules

The title compound, C15H16N2O2S, contains a five-membered thiophene ring fused to a benzene ring and a substituted pyrimidinone ring. All three rings in each of the independent molecules of the asymmetric unit lie in approximately the same plane. The crystal structure is stabilized by intermolecular C—H...O hydrogen bonding and π–π stacking interactions.

scholarly journals Crystal structure of bis(2,2′-bipyridine-κ2N,N′)bis(thiocyanato-κN)manganese(II) 2,2′-bipyridine monosolvate

2015 ◽  
Vol 71 (1) ◽  
pp. m3-m4
Author(s):  
Stefan Suckert ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Asymmetric Unit ◽  
Complex Molecules ◽  
Distorted Octahedral Environment ◽  
Octahedral Environment ◽  
Distorted Octahedral

In the crystal structure of the mononuclear title compound, [Mn(NCS)2(C10H8N2)2]·C10H8N2, the MnIIcation is coordinated in an all-cisconfiguration by two N-bound thiocyanate anions and two 2,2′-bipyridine ligands within a slightly distorted octahedral environment. The asymmetric unit consists of one MnIIcation, two thiocyanate anions and two 2,2′-bipyridine ligands, as well as two non-coordinating 2,2′-bipyridine ligands that are each located on centres of inversion. In the crystal structure, the discrete [Mn(NCS)2(C10H8N2)2] complex molecules are arranged in such a way that cavities are formed, in which the solvent 2,2′-bipyridine molecules are located. Apart from van der Waals forces, there are no remarkable intermolecular interactions present in the crystal structure.

scholarly journals Bis(1-methylimidazole)[meso-α,α,α,α-tetrakis(o-nicotinamidophenyl)porphinato]iron(II)–1-methylimidazole–tetrahydrofuran (1/1/1.5)

IUCrData ◽  
2021 ◽  
Vol 6 (5) ◽  
Author(s):  
Yingying Fan ◽  
Jianfeng Li
Keyword(s):  
Crystal Structure ◽  
Bond Length ◽  
Dihedral Angle ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Bond Lengths ◽  
Porphyrin Core ◽  
Solvent Molecules ◽  
Pyrrole Nitrogen

In the title compound, [FeII(C68H44N12O4)(C4H6N2)2]·C4H6N2·1.5C4H8O, the central FeII ion is coordinated by four pyrrole N atoms of the porphyrin core and two N atoms of the 1-methylimidazole ligands in the axial sites. One 1-methylimidazole and one and a half tetrahydrofuran solvent molecules are also present in the asymmetric unit. The complex exhibits a near planar porphyrin core conformation, in which the iron centre is slightly displaced towards the hindered porphyrin side (0.01 Å). The average Fe—Np (Np refers to the pyrrole nitrogen atoms in the porphyrin) bond length is 1.990 (9) Å, and the axial Fe—NIm (NIm refers to the imidazole nitrogen atoms) bond lengths are 1.993 (3) and 2.004 (3) Å. The dihedral angle between the two coordinated 1-methylimidazole planes is 56.6 (2)°. The dihedral angles between the 1-methylimidazole planes and the planes of the closest Fe—Np vector are 16.8 (2) and 39.8 (2)°. N—H...N and N—H...O interactions are observed in the crystal structure.

scholarly journals N-Methyl-N-propyltryptamine (MPT)

IUCrData ◽  
2019 ◽  
Vol 4 (7) ◽  
Author(s):  
Andrew R. Chadeayne ◽  
James A. Golen ◽  
David R. Manke
Keyword(s):  
Hydrogen Bonds ◽  
Single Molecule ◽  
Title Compound ◽  
Unit Cell ◽  
Asymmetric Unit ◽  
One Dimensional ◽  
Ethyl Methyl

The title compound {systematic name: [2-(1H-indol-3-yl)ethyl](methyl)propylamine}, C14H20N2, has a single molecule in the asymmetric unit. The molecules in the unit cell are held together in infinite one-dimensional chains along [010] through N—H...N hydrogen bonds between indole H atoms and trialkylamine N atoms.

scholarly journals Crystal structure of octa-μ3-selenido-(p-toluenesulfonato-κO)pentakis(triethylphosphane-κP)-octahedro-hexarhenium(III)p-toluenesulfonate dichloromethane disolvate

2015 ◽  
Vol 71 (9) ◽  
pp. m158-m159 ◽  
Author(s):  
Julia A. Edwards ◽  
Robert McDonald ◽  
Lisa F. Szczepura
Keyword(s):  
Crystal Structure ◽  
Bond Length ◽  
Title Compound ◽  
Cluster Core ◽  
Donor Ligands ◽  
Asymmetric Unit ◽  
Chalcogenide Clusters ◽  
The Face ◽  
Solvent Molecules ◽  
Rhenium Chalcogenide Clusters

The title compound, [Re6Se8{O3SC6H4(CH3)}{P(C2H5)3}5](CH3C6H4SO3)·2CH2Cl2, contains the face-capped hexanuclear [Re6(μ3-Se)8]2+cluster core. The [Re6Se8]2+cluster core displays a non-crystallographic center of symmetry and is bonded through the ReIIIatoms to five triethylphosphane ligands and onep-toluenesulfonate ligand. Onep-toluenesulfonate counter-ion and two dichloromethane solvent molecules are also present in the asymmetric unit. One of the ethyl chains of one triethylphosphane ligand and one of the CH2Cl2solvent molecules are disordered over two sets of sites (occupancy ratios 0.65:0.35 and 0.5:0.5, respectively). The Re—O(sulfonate) bond length of 2.123 (5) Å is similar to other Re—O bond lengths of hexanuclear rhenium chalcogenide clusters containing otherO-donor ligands such as dimethyl sulfoxide (DMSO), dimethylformamide (DMF) and hydroxide.

scholarly journals Crystal structure of 4′-bromo-2′,5′-dimethoxy-2,5-dioxo-[1,1′-biphenyl]-3,4-dicarbonitrile [BrHBQ(CN)2] benzene hemisolvate

2016 ◽  
Vol 72 (4) ◽  
pp. 600-603 ◽  
Author(s):  
Joseph E. Meany ◽  
Deidra L. Gerlach ◽  
Elizabeth T. Papish ◽  
Stephen A. Woski
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Weak Interactions ◽  
Unit Cell ◽  
Compound C ◽  
Solvent Molecules

In the crystal of the title compound, C16H9BrN2O4·0.5C6H6, the molecules stack in a centrosymmetric unit cell in a 2:1 stoichiometry with co-crystallized benzene solvent molecules and interactviavarious weak interactions. This induces a geometry different from that predicted by theory, and is unique among the hemibiquinones heretofore reported.

scholarly journals Crystal structure of 4-[(E)-(4-fluorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione

2015 ◽  
Vol 71 (12) ◽  
pp. o912-o913 ◽  
Author(s):  
P. S. Manjula ◽  
B. K. Sarojini ◽  
B. Narayana ◽  
K. Byrappa ◽  
S. Madan Kumar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking

The title compound, C10H9FN4S, crystallizes with two molecules (AandB) in the asymmetric unit. The dihedral angle between the planes of the trizole and fluorobenzene rings is 7.3 (3)° in moleculeAand 41.1 (3)° in moleculeB. MoleculeAfeatures an intramolecular C—H...S hydrogen bond, which closes anS(6) ring. In the crystal,A+Bdimers linked by pairs of N—H...S hydrogen bonds occur, generatingR22(8) loops. Weak π–π stacking contacts [centroid–centroid separation = 3.739 (6) Å] are also observed.

Bis(2,2′-bipyridine){3,8-bis[2-(4-tolyl)ethynyl]-1,10-phenanthroline}ruthenium(II) bis(hexafluorophosphate)

2006 ◽  
Vol 62 (5) ◽  
pp. m980-m982 ◽  
Author(s):  
Michito Shiotsuka ◽  
Yasuhiro Inui ◽  
Mitsuhiro Ito ◽  
Satoru Onaka ◽  
Tomoji Ozeki ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Distorted Octahedral Environment ◽  
Octahedral Environment ◽  
Π Stacking ◽  
Distorted Octahedral

The asymmetric unit of the title compound, [Ru(C10H8N2)2(C30H20N2)](PF6)2, contains a monomeric [Ru(bpy)2(dtephen)] cation {bpy is 2,2′-bipyridine and dtephen is 3,8-bis[2-(4-tolyl)ethynyl]-1,10-phenanthroline} and two hexafluorophosphate anions. The ruthenium(II) ion is in a distorted octahedral environment coordinated by two bpy ligands and one dtephen ligand. The dtephen ligand is almost planar. π–π stacking interactions and C—H...F hydrogen bonds are observed in the crystal structure.

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