scholarly journals (μ3-Hydrido)[μ3-2-(trimethylsilyl)ethylidyne-κ3C1:C1:C1]tetrakis[(η5-cyclopentadienyl)cobalt(II)]

2013 ◽  
Vol 69 (12) ◽  
pp. m651-m651
Author(s):  
Martin Haehnel ◽  
Anke Spannenberg ◽  
Uwe Rosenthal
Keyword(s):  
Title Compound ◽  
Distorted Tetrahedron ◽  
Bond Lengths

In the title compound, [Co4(C5H5)4(μ3-CCH2SiMe3)(μ3-H)], the Co atoms form a distorted tetrahedron with the ethylidyne moiety bridging three of the Co atoms as well as the hydrido ligand also bridging three of the Co atoms. The Co—Co bond lengths in the Co4tetrahedron vary from 2.3844 (4) to 2.4608 (4) Å. Each Co atom is additionally η5-bonded to a cyclopentadienyl (Cp) anion.

Synthesis, Crystal Structure and Optical Spectra of Yb2[CN2]3

2007 ◽  
Vol 62 (5) ◽  
pp. 658-662 ◽  
Author(s):  
Olaf Reckeweg ◽  
Thomas Schleid ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Title Compound ◽  
Optical Spectra ◽  
Type Structure ◽  
Distorted Tetrahedron ◽  
Bond Lengths ◽  
Fundamental Frequencies

Abstract Red-orange, transparent single crystals of Yb2[CN2]3 [trigonal, R3̄c (no. 167), a = 630.02(3) and c = 2947.4(2) pm, Z = 6] are obtained by the reaction of Yb, Sn, Zn[CN2] and NaN3 in arc-welded Nb ampoules at 1100 K. The title compound exhibits characteristic C-N bond lengths and angles [d(C-N) = 122.7(3) pm and ∡(N-C-N) = 178.4(5)°, respectively] within the [N=C=N]2− unit as well as the expected fundamental frequencies in its optical spectra (Raman: νs = 1338; δ = 643 / 683 / 695 cm−1; IR: νas = 2005 / 2037; δ = 640 / 679 cm−1). Since Yb2[CN2]3 adopts a corundum-type structure, Yb3+ is octahedrally coordinated by six N atoms of different [CN2]2− anions [d(Yb-N) = 228.6(3) and 233.4(3) pm, 3× each] and every [CN2]2− group has four Yb3+ as next neighbours which form a distorted tetrahedron.

scholarly journals S,S-Diphenyl-N-tosyl sulfone diimine

IUCrData ◽  
2019 ◽  
Vol 4 (4) ◽  
Author(s):  
Md. Chanmiya Sheikh ◽  
Toshiaki Yoshimura ◽  
Ryuta Miyatake
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Sulfur Atom ◽  
Title Compound ◽  
Dihedral Angles ◽  
Distorted Tetrahedron ◽  
Torsion Angles ◽  
Bond Lengths ◽  
Phenyl Rings ◽  
Ring Motif

In the title compound [systematic name: N-(iminodiphenyl-λ6-sulfanylidene)-4-methylbenzene-1-sulfonamide], C19H18N2O2S2, the configuration around the sulfur atom of the sulfonediimine group is a slightly distorted tetrahedron structure with two S=N bonds and two S—C bonds. The bond lengths of S=N (p-toluenesulfonyl) and S=N (NH) are 1.5785 (15) and 1.5158 (18) Å, respectively. The S—N=S plane makes a dihedral angle of 74.24 (14)° with the p-toluene ring, while it makes dihedral angles of 73.43 (13) and 41.98 (14)° with the phenyl rings. The two torsion angles of S—N=S—C (phenyl) and the S—N=S=N angle are 105.86 (12), −144.54 (11) and −25.67 (17)°, respectively. In the crystal, molecules are connected by pairs of N—H...O hydrogen bonds, forming inversion dimers with an R 2 2(12) ring motif. The dimers are linked by C—H...O interactions, forming a tape structure along the a-axis direction.

scholarly journals N-(5-Chloro-1,3-thiazol-2-yl)-2,4-difluorobenzamide

2012 ◽  
Vol 68 (6) ◽  
pp. o1857-o1857 ◽  
Author(s):  
Xi-Wang Liu ◽  
Jian-Yong Li ◽  
Han Zhang ◽  
Ya-Jun Yang ◽  
Ji-Yu Zhang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Benzoyl Chloride ◽  
Bond Lengths ◽  
Compound C

The title compound, C10H5ClF2N2OS, was obtained by linking an amino heterocycle and a substituted benzoyl chloride. The dihedral angle between the two rings is 41.2 (2)° and the equalization of the amide C—N bond lengths reveals the existence of conjugation between the benzene ring and the thiazole unit. In the crystal, pairs of N—H...N hydrogen bonds link molecules into inversion dimers. Non-classical C—H...F and C—H...O hydrogen bonds stabilize the crystal structure.

scholarly journals trans-Dichloridobis[dicyclohexyl(phenyl)phosphane-κP]palladium(II)

2012 ◽  
Vol 68 (4) ◽  
pp. m404-m404 ◽  
Author(s):  
Andrew R. Burgoyne ◽  
Reinout Meijboom ◽  
Hezron Ogutu
Keyword(s):  
Long Range ◽  
Title Compound ◽  
Phenyl Ring ◽  
Planar Geometry ◽  
Dalton Trans ◽  
Bond Lengths ◽  
Monomeric Complex ◽  
Square Planar

The title compound, [PdCl2{P(C6H11)2(C6H5)}2], forms a monomeric complex with atrans-square-planar geometry. The Pd—P bond lengths are 2.3343 (5) Å, as the Pd atom lies on an inversion centre, while the Pd—Cl bond lengths are 2.3017 (4) Å. The observed structure was found to be closely related to [PdCl2{P(C6H11)3}2] [Grushinet al.(1994).Inorg. Chem.33, 4804–4806], [PdBr2{P(C6H11)3}2] [Clarkeet al.(2003).Dalton Trans.pp. 4393–4394] and [PdCl2P(C6H11)2(C7H7)}2] [Vuotiet al.(2008).Eur. J. Inorg. Chem.pp. 397–407] (C6H11is cyclohexyl and C7H7iso-tolyl). One of the cyclohexyl rings is disordered with the phenyl ring in a 0.587 (9):413 (9) ratio. Five long-range C—H...Cl interactions were observed within the structure.

1,1′-Bis{α-[(4-methylbenzyl)imino]benzyl}ferrocene

2006 ◽  
Vol 62 (7) ◽  
pp. m1623-m1624
Author(s):  
Hong-Xing Wang ◽  
Ren-Qing Gao ◽  
Hong-Fei Wu ◽  
Feng-Ying Geng ◽  
Xiao-Li Yang
Keyword(s):  
Title Compound ◽  
Normal Range ◽  
Bond Lengths

The title compound, [Fe(C20H18N)2], a new 1,1′-disubstituted ferrocenylketimine derivative, has been synthesized and characterized. All the bond lengths are within normal range.

scholarly journals Dipotassium tetrahydroxidopentaoxidotetraborate monohydrate

IUCrData ◽  
2019 ◽  
Vol 4 (1) ◽  
Author(s):  
M. K. Dhatchaiyini ◽  
M. NizamMohideen ◽  
G. Rajasekar ◽  
A. Bhaskaran
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Coordination Number ◽  
Title Compound ◽  
Three Dimensional ◽  
Compound K ◽  
Bond Lengths ◽  
Dimensional Network

In the tetraborate anion of the title compound, K2[B4O5(OH)4]·H2O, the bridging B—O bond lengths of the tetrahedral BO4 and the trigonal-planar BO3 units are slightly longer than the corresponding terminal B—OH bond lengths. The crystal structure is stabilized by intermolecular O—H...O, O—H...Owater and Owater—H...O hydrogen bonds, generating a three-dimensional network. The two potassium cations both show a coordination number of 9.

scholarly journals Crystal structure of zwitterionic 2-[bis(2-methoxyphenyl)phosphaniumyl]-4-methylbenzenesulfonate monohydrate dichloromethane monosolvate

2016 ◽  
Vol 72 (2) ◽  
pp. 229-232
Author(s):  
Hongyang Zhang ◽  
Ge Feng ◽  
Alexander S. Filatov ◽  
Richard F. Jordan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Water Molecules ◽  
Sulfonate Group ◽  
Centrosymmetric Dimer ◽  
Bond Lengths ◽  
Compound C

In the title compound, C21H21O5PS·H2O·CH2Cl2, the phosphonium–sulfonate zwitterion has the acidic H atom located on the P atom rather than the sulfonate group. The S—O bond lengths [1.4453 (15)–1.4521 (14) Å] are essentially equal. In the crystal, the water molecules bridge two zwitterionsviaOwater—H...Osulfonatehydrogen bonds into a centrosymmetric dimer. The dimers are further linked by weak CAryl—H...Osulfonatehydrogen bonds into chains extending along [100]. The PH+group is not involved in intermolecular interactions.

scholarly journals Diphenyl[(phenylsulfanyl)methyl]-λ5-phosphanethione

2014 ◽  
Vol 70 (3) ◽  
pp. o374-o374
Author(s):  
Viktoria H. Gessner
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Subsequent Reaction ◽  
Bond Lengths ◽  
Compound C ◽  
Benzene Rings ◽  
Diphenyl Disulfide

The title compound, C19H17PS2, results from the direct deprotonation of diphenylmethylphosphine sulfide and subsequent reaction with diphenyl disulfide. The C—P and C—S bond lengths of 1.8242 (18) and 1.8009 (18) Å, respectively, of the central P—C—S linkage are comparable to those found in the sulfonyl analogue, but are considerably longer than those reported for the dimetallated sulfonyl compound. The dihedral angle between the benzene rings of the diphenylmethyl moiety is 69.46 (7)°. No distinct intermolecular interactions are present in the crystal structure.

Dibromodiphenylstannane: isolated centrosymmetric dimers as a new structure motif for the intermolecular association of diorganotin(IV) dihalides

2012 ◽  
Vol 68 (4) ◽  
pp. m104-m108 ◽  
Author(s):  
Fei Ye ◽  
Hans Reuter
Keyword(s):  
Intermolecular Interactions ◽  
Title Compound ◽  
Crystalline State ◽  
Dipole Moments ◽  
Interplanar Angle ◽  
Bond Lengths ◽  
Association Pattern ◽  
Intermolecular Association ◽  
Tetrahedral Molecules ◽  
Centrosymmetric Dimers

In the crystalline state, the low-melting title compound [common name: diphenyltin(IV) dibromide], [SnBr2(C6H5)2], consists of distorted tetrahedral molecules with compressed halide and enlarged carbon opening angles of 102.741 (9) and 123.53 (8)°, respectively, and Sn—C and Sn—Br bond lengths of 2.109 (2)/2.113 (2) and 2.4710 (3)/2.4947 (3) Å, respectively. Intermolecular Sn...Br interactions, typical for diorganotin(IV) dihalides,R2SnHal2(with Hal = Cl, Br, I), and sterically less demanding organic groups lead to the formation of a hitherto unknown association pattern consisting of centrosymmetric dimers with an antiparallel orientation of the dipole moments and two weak intermolecular Sn...Br distances of 3.8482 (3) Å between one of the two Br atoms and its neighbouring Sn atom, andvice versa. The second Br atom is not involved in intermolecular interactions and lies somewhat outside the association plane that, therefore, is not coplanar [interplanar angle = 1.750 (2)°] with the tin–halide plane. The new structure motif of intermolecular tin–halide interaction can be classified as 2ai, which indicates the number of molecules (i.e.`2') composing the oligomer, the antiparallel orientation (i.e.`a') of their dipole moments and the centre of symmetry (i.e.`i') giving rise to the association pattern.

Intraionic Structure of HS04- and Alkali Cation Configuration in Molten NaHS04 and KHS04

1994 ◽  
Vol 49 (7-8) ◽  
pp. 785-789 ◽  
Author(s):  
K. Fukushima ◽  
M. Murofushi ◽  
M . Oki ◽  
K. Igarashi ◽  
J. Mochinaga ◽  
...  
Keyword(s):  
Molten Salts ◽  
Molecular Orbital Calculations ◽  
Distorted Tetrahedron ◽  
X Ray Diffraction ◽  
X Ray ◽  
Bond Lengths ◽  
Semi Empirical ◽  
Polyatomic Anion ◽  
Short Range Structure

Abstract The short range structure of molten NaHSO4(I) and KHSO4(II) was estimated by X-ray diffraction. The polyatomic anion, HSO4-, in both molten salts was found to have a distorted tetrahedral structure in which the bond lengths of S-O and S-OH were 1.45 Å and 1.53 Å in (I) and 1.46 Å and 1.56 Å in (II), respectively. The coordination number of the Na+ or K+ around the HSO4- was evaluated to be about unity. The semi-empirical molecular orbital calculations by the MNDO-MOPAC method were applied to the determination of the intraionic structure of the H S 0 4 and the bond lengths of S-O and S -OH were computed to be 1.528 Å and 1.666 Å, respectively, supporting qualitatively that the HSO4- forms a rather distorted tetrahedron.

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