scholarly journals A new pseudopolymorph of perchlorinated neopentasilane: the benzene monosolvate Si(SiCl3)4·C6H6

2020 ◽  
Vol 76 (2) ◽  
pp. 261-263 ◽  
Author(s):  
Jan Tillmann ◽  
Hans-Wolfram Lerner ◽  
Michael Bolte
Keyword(s):  
General Position ◽  
Rotation Axis ◽  
Van Der Waals ◽  
Benzene Molecule ◽  
Asymmetric Unit ◽  
Van Der Waals Contacts

A new pseudopolymorph of dodecachloropentasilane, namely a benzene monosolvate, Si5Cl12·C6H6, is described. There are two half molecules of each kind in the asymmetric unit. Both Si5Cl12 molecules are completed by crystallographic twofold symmetry. One of the benzene molecules is located on a twofold rotation axis with two C—H groups located on this rotation axis. The second benzene molecule has all atoms on a general position: it is disordered over two equally occupied orientations. No directional interactions beyond normal van der Waals contacts occur in the crystal.

Poly[deca-μ2-cyanido-dicyanidobis(μ2-ethylenediamine)bis(ethylenediamine)tricadmium(II)dicobalt(III)]: a two-dimensional coordination polymer

2009 ◽  
Vol 65 (3) ◽  
pp. m118-m120
Author(s):  
Olha Sereda ◽  
Helen Stoeckli-Evans
Keyword(s):  
Coordination Polymer ◽  
Network Structure ◽  
General Position ◽  
Rotation Axis ◽  
Three Dimensional ◽  
The Other ◽  
Dimensional Structure ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Dimensional Network

The title coordination polymer, [Cd3Co2(CN)12(C2H8N2)4]n, has an infinite two-dimensional network structure. The asymmetric unit is composed of two crystallographically independent CdIIatoms, one of which is located on a twofold rotation axis. There are two independent ethylenediamine (en) ligands, one of which bis-chelates to the Cd atom that sits in a general position, while the other bridges this Cd atom to that sitting on the twofold axis. The Cd atom located on the twofold rotation axis is linked to four equivalent CoIIIatomsviacyanide bridges, while the Cd atom that sits in a general position is connected to three equivalent CoIIIatomsviacyanide bridges. In this way, a series of trinuclear, tetranuclear and pentanuclear macrocycles are linked to form a two-dimensional network structure lying parallel to thebcplane. In the crystal structure, these two-dimensional networks are linkedviaN—H...N hydrogen bonds involving an en NH2H atom and a cyanide N atom, leading to the formation of a three-dimensional structure. This coordination polymer is only the second example involving a cyanometallate where the en ligand is present in both chelating and bridging coordination modes.

Di-μ2-methanolato-bis[tetrakis(pyrimidin-2-amine-κN 1)cobalt(II)] bis(tetrafluoroborate)

2006 ◽  
Vol 62 (5) ◽  
pp. m1159-m1161 ◽  
Author(s):  
Yang Li ◽  
Xi-Quan Zhang ◽  
Xi-Chang Zhang ◽  
Xiang-Jian Wang ◽  
Rui-Qin Fang
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
General Position ◽  
Rotation Axis ◽  
Intermolecular Hydrogen Bonding ◽  
Asymmetric Unit ◽  
Amine Ligand

The title compound, [Co2(CH3O)2(C4H5N3)4](BF4)2, consists of a discrete dimeric CoII complex. The asymmetric unit consists of one pyrimidin-2-amine ligand, which occupies a general position, and one methanolate group, as well as one CoII cation and one tetrafluoroborate anion, which are located in special positions. The CoII cation lies on a twofold rotation axis, whereas the tetrafluoroborate anion and the methanolate group lie on mirror planes. The N atoms of the pyrimidin-2-amine ligand are involved in intermolecular hydrogen bonding. From this arrangement, large channels are formed, which elongate in the direction of the crystallographic c axis.

scholarly journals Crystal structure of poly[[(2,2′-bipyridine)manganese(II)]-di-μ-thiocyanato]

2014 ◽  
Vol 70 (12) ◽  
pp. m401-m402
Author(s):  
Stefan Suckert ◽  
Susanne Wöhlert ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
General Position ◽  
Rotation Axis ◽  
The Other ◽  
Asymmetric Unit ◽  
Thiocyanate Anion ◽  
Manganese Cation ◽  
Bipyridine Ligand

In the crystal structure of the polymeric title compound, [Mn(NCS)2(C10H8N2)]n, the MnIIcations are coordinated by one chelating 2,2′-bipyridine ligand and four thiocyanate anions (twoN- and twoS-coordinating), forming a distorted [MnN4S2] octahedron. The asymmetric unit consists of one manganese cation located on a twofold rotation axis and half of a 2,2′-bipyridine ligand, the other half being generated by the same twofold rotation axis, as well as one thiocyanate anion in a general position. The MnIIcations are linked by two pairs of μ1,3-bridging thiocyanate ligands into chains along thecaxis; because the N atoms of the 2,2′-bipyridine ligands, as well as the N and the S atoms of the thiocyanate anions, are eachcis-coordinating, these chains show a zigzag arrangement.

scholarly journals Crystal structure of a silver-, cobalt- and iron-based phosphate with an alluaudite-like structure: Ag1.655Co1.64Fe1.36(PO4)3

2017 ◽  
Vol 73 (6) ◽  
pp. 890-892 ◽  
Author(s):  
Adam Bouraima ◽  
Thomas Makani ◽  
Abderrazzak Assani ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
General Position ◽  
Rotation Axis ◽  
The Other ◽  
Solid State Reactions ◽  
Asymmetric Unit ◽  
Cobalt Iron ◽  
Iron Based ◽  
Cationic Disorder

The new silver-, cobalt- and iron-based phosphate, silver cobalt iron tris(orthophosphate), Ag1.655Co1.64Fe1.36(PO4)3, was synthesized by solid-state reactions. Its structure is isotypic to that of Na2Co2Fe(PO4)3, and belongs to the alluaudite family, with a partial cationic disorder, the AgIatoms being located on an inversion centre and twofold rotation axis sites (Wyckoff positions 4aand 4e), with partial occupancies of 0.885 (2) and 0.7688 (19), respectively. One of the two P atoms in the asymmetric unit completely fills one 4esite while the Co and Fe atoms fill another 4esite, with partial occupancies of 0.86 (5) and 0.14 (5), respectively. The remaining Co2+and Fe3+cations are distributed on a general position, 8f, in a 0.39 (4):0.61 (4) ratio. All O atoms and the other P atoms are in general positions. The structure is built up from zigzag chains of edge-sharing [MO6] (M= Fe/Co) octahedra stacked parallel to [101]. These chains are linked together through PO4tetrahedra, forming polyhedral sheets perpendicular to [010]. The resulting framework displays two types of channels running along [001], in which the AgIatoms (coordination number eight) are located.

scholarly journals Redetermination of 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane

2014 ◽  
Vol 70 (3) ◽  
pp. o266-o266 ◽  
Author(s):  
Augusto Rivera ◽  
Jaime Ríos-Motta ◽  
Michael Bolte
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Room Temperature ◽  
Van Der Waals ◽  
The Other ◽  
Site Symmetry ◽  
Asymmetric Unit ◽  
Temperature Study ◽  
Compound C ◽  
Van Der Waals Contacts

The structure of the title compound, C8H16N4, which consists of four fused seven-membered rings, has been redetermined at 173 K. This redetermination corrects the orientation of two H atoms, which were located at unrealistic positions in the original room-temperature study [Murray-Rust (1974).J. Chem. Soc. Perkin Trans. 2, pp. 1136–1141]. The complete molecule is generated by -42msymmetry, with one quarter of a molecule [one N atom (site symmetrym), two C atoms (one with site symmetrymand the other with site symmetry 2) and two H atoms] in the asymmetric unit. No directional interactions beyond van der Waals contacts are apparent in the crystal structure.

scholarly journals 1-Nitro-4-(1-propyn-1-yl)benzene

IUCrData ◽  
2019 ◽  
Vol 4 (11) ◽  
Author(s):  
Cristian Saul Campos Fernandez ◽  
Leslie W. Pineda ◽  
Jorge Cabezas Pizarro
Keyword(s):  
Title Compound ◽  
Triple Bond ◽  
Rotation Axis ◽  
Van Der Waals ◽  
Compound C ◽  
Van Der Waals Contacts

The title compound, C9H7NO2, was prepared by alkynylation of 4-iodonitrobenzene with 1,3-dilithiopropyne in the presence of 1 equivalent of CuI and catalytic amounts of Pd(PPh3)2Cl2. The complete molecule is generated by crystallographic twofold symmetry with the C—N and C—C[triple-bond]C—C units lying on the rotation axis. No directional interactions beyond normal van der Waals contacts could be identified in the packing.

scholarly journals Crystal structure of octakis(4-methoxypyridinium) bis(4-methoxypyridine-κN)tetrakis(thiocyanato-κN)ferrate(III) bis[(4-methoxypyridine-κN)pentakis(thiocyanato-κN)ferrate(III)] hexakis(thiocyanato-κN)ferrate(III) with iron in three different octahedral coordination environments

2018 ◽  
Vol 74 (3) ◽  
pp. 287-291 ◽  
Author(s):  
Aleksej Jochim ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
General Position ◽  
Rotation Axis ◽  
Organic Cations ◽  
Asymmetric Unit ◽  
Charge Balance ◽  
Coulombic Interactions ◽  
Hydrogen Bonding Interactions ◽  
Complex Anions

The crystal structure of the title salt, (C6H8NO)8[Fe(NCS)4(C6H7NO)2][Fe(NCS)5(C6H7NO)]2[Fe(NCS)6], comprises three negatively charged octahedral FeIIIcomplexes with different coordination environments in which the FeIIIatoms are coordinated by a different number of thiocyanate anions and 4-methoxypyridine ligands. Charge balance is achieved by 4-methoxypyridinium cations. The asymmetric unit consists of three FeIIIcations, one of which is located on a centre of inversion, one on a twofold rotation axis and one in a general position, and ten thiocyanate anions, two 4-methoxypyridine ligands and 4-methoxypyridinium cations (one of which is disordered over two sets of sites). Beside to Coulombic interactions between organic cations and the ferrate(III) anions, weak N—H...S hydrogen-bonding interactions involving the pyridinium N—H groups of the cations and the thiocyanate S atoms of the complex anions are mainly responsible for the cohesion of the crystal structure.

scholarly journals 4,4′,4′′,4′′′-({4′λ5,6λ5,6′λ5-Spiro[dibenzo[d,f][1,3,2]dioxaphosphepine-6,2′-[1,3,5,2,4,6]triazatriphosphinine]-4′,4′,6′,6′-tetrayl}tetrakis(oxy))tetrabenzaldehyde

IUCrData ◽  
2017 ◽  
Vol 2 (12) ◽  
Author(s):  
Guohui Hou ◽  
Yumeng Zhang ◽  
Jing Zhu ◽  
Anxian Xiong ◽  
Hongliang Wei ◽  
...  
Keyword(s):  
Torsion Angle ◽  
Title Compound ◽  
Rotation Axis ◽  
Van Der Waals ◽  
Dihedral Angles ◽  
Compound C ◽  
Phenyl Rings ◽  
Van Der Waals Contacts

The complete molecule of the title compound, C40H28N3O10P3, is generated by crystallographic twofold symmetry, with one P and one N atom lying on the rotation axis. The central P3N3ring is close to planar, with an r.m.s. deviation of the six fitted atoms of 0.077 Å. The 2,2′-biphenoxy moiety generates a seven-membered spirocyclic structure with an endocyclic C—C—C—C torsion angle about the central biphenoxy C—C bond of 38.5 (4)°. The formyl-substituted phenyl rings subtend dihedral angles of 56.83 (10) and 61.02 (13)° with respect to the phosphazene core. The C=O and C—H groups of the formyl groups are disordered over two orientations in a 0.640 (4):0.360 (4) ratio. No directional interactions beyond normal van der Waals contacts could be identified in the crystal.

Molecule‐Upgraded van der Waals Contacts for Schottky‐Barrier‐Free Electronics

2021 ◽  
pp. 2104935
Author(s):  
Xiankun Zhang ◽  
Zhuo Kang ◽  
Li Gao ◽  
Baishan Liu ◽  
Huihui Yu ◽  
...  
Keyword(s):  
Schottky Barrier ◽  
Van Der Waals ◽  
Van Der Waals Contacts ◽  
Barrier Free

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.

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