ChemInform Abstract: Crystal Chemistry of Complex Indium(III) and Other M(III) Halides, with a Discussion of M-Cl Bond Lengths in Complex M(III) Chlorides and of the Structures of and Hydrogen Bonding in (NH4)2(InCl5(H2O)), K3InCl6·nH2O, (MeNH3)4(InCl6)Cl

ChemInform ◽  
1987 ◽  
Vol 18 (49) ◽  
Author(s):  
O. KNOP ◽  
T. S. CAMERON ◽  
D. ADHIKESAVALU ◽  
B. R. VINCENT ◽  
J. A. JENKINS
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Chemistry ◽  
Bond Lengths

Crystal chemistry of complex indium(III) and other M(III) halides, with a discussion of M—Cl bond lengths in complex M(III) chlorides and of the structures of and hydrogen bonding in (NH4)2[InCl5(H2O)], K3InCl6•nH2O, (MeNH3)4[InCl6]Cl, and (Me2NH2)4[InCl6]Cl

1987 ◽  
Vol 65 (7) ◽  
pp. 1527-1556 ◽  
Author(s):  
Osvald Knop ◽  
T. Stanley Cameron ◽  
D. Adhikesavalu ◽  
Beverly R. Vincent ◽  
James A. Jenkins
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Chemistry ◽  
Formula Unit ◽  
Neutral Ligand ◽  
Group Iii ◽  
Bond Lengths ◽  
Structure Determinations ◽  
The Mean ◽  
Available Information ◽  
Anion Packing

The crystal chemistry of complex In(III) halides is discussed and compared with that of other Group III elements and Fe(III), with critical comments and analysis of the available information. The cation/anion packing types occurring among A+[M3+X4] halides are classified according to volume per formula unit and the relative ionic sizes of M, X, and A, and the structural trends in this class of compounds are identified. The effect of systematic factors responsible for variation in M(III)—Cl bond lengths is examined in detail. It is shown that the mean M(III)—Cl bond lengths in [MClnLm]ε(M = Al, Ga, Fe, In, Tl; L = Cl or a neutral ligand) complexes can be approximated, to within about 0.02 Ă, by a linear function of the coordination number CN = n + m and the charge ε over the range 3 ≤ CN ≤ 6 and.−3 ≤ ε ≤2. This analytical expression provides a norm for comparing M(III)—Cl bond lengths and demonstrates that the CN is always a more important factor than ε in determining the variation in the mean bond length and that it becomes dominant when M is small. The crystal structure of (Me2NH2)4[InCl6]Cl (P21212, a = 10.156(4) Å, b = 13.007(4) Å, c = 8.751(3) Å, Z = 2) has been determined and those of (NH4)2InCl5(H2O)] (Pnma, a = 13.953(4) Å, b = 10.086(5) Å, c = 7.152(3) Å, Z = 4), K3InCl6•nH2O (I4mm, a = 15.659(8) Å, c = 18.106(5) Å, Z = 14) and (MeNH3)4[InCl6]Cl (P2/n, a = 16.113(3) Å, b = 7.446(2) Å, c = 16.163(4) Å, β = 103.75(2)°, Z = 4) redetermined. The water in K3InCl6•nH2O appears to be in part zeolitic; the hydrate examined contained more water than the monohydrate reported previously. Hydrogen bonding in these and related structures is described and discussed in detail; descriptions of the hydrogen-bonding schemes in (NH4)2[InCl5(H2O)] and (MeNH3)4[InCl6]Cl constitute the main improvement over earlier structure determinations.

scholarly journals Crystal structures ofN′-aminopyridine-2-carboximidamide andN′-{[1-(pyridin-2-yl)ethylidene]amino}pyridine-2-carboximidamide

2017 ◽  
Vol 73 (7) ◽  
pp. 1021-1025
Author(s):  
Francois Eya'ane Meva ◽  
Timothy John Prior ◽  
David John Evans ◽  
Emmanuel Roland Mang
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Dimensional Chain ◽  
Two Dimensional ◽  
One Dimensional ◽  
Bond Lengths ◽  
Hydrogen Bonding Interactions ◽  
Hydrogen Bonding Network

The crystal structures ofN′-aminopyridine-2-carboximidamide (C6H8N4),1, andN′-{[1-(pyridin-2-yl)ethylidene]amino}pyridine-2-carboximidamide (C13H13N5),2, are described. The non-H atoms in compound1are nearly planar (r.m.s. deviation from planarity = 0.0108 Å), while2is twisted about the central N—N bond by 17.8 (2)°. Both molecules are linked by intermolecular N—H...N hydrogen-bonding interactions;1forms a two-dimensional hydrogen-bonding network and for2the network is a one-dimensional chain. The bond lengths of these molecules are similar to those in other literature reports of azine and diimine systems.

scholarly journals Metal Complex Geometries in Small-Molecule Crystals

1998 ◽  
Vol 54 (6) ◽  
pp. 1194-1198 ◽  
Author(s):  
A. Guy Orpen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Metal Complex ◽  
Small Molecule ◽  
Structure Determination ◽  
Complex Geometries ◽  
Bond Lengths ◽  
Structural Database ◽  
Metal Ligand ◽  
Ligand Bond

The origins, scope and utility of compilations of metal–ligand and intraligand bond lengths based on the Cambridge Structural Database are discussed. The limitations on the apparent uncertainty of metal–ligand bond lengths derived from crystallographic data and recent evidence of metal-assisted hydrogen bonding involving ligands are reviewed in the light of the transferability of bond-length values from one crystal structure determination.

The crystal chemistry of duftite, PbCuAsO4(OH) and the β-duftite problem

1998 ◽  
Vol 62 (1) ◽  
pp. 121-130 ◽  
Author(s):  
Kharisun ◽  
Max R. Taylor ◽  
D. J. M Bevan ◽  
Allan Pring
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Chemistry ◽  
Three Dimensional ◽  
The Other ◽  
Orthorhombic Space Group ◽  
Teller Distortion ◽  
Modulated Structure ◽  
Dimensional Network ◽  
Jahn Teller ◽  
Jahn Teller Distortion

AbstractDuftite, PbCu(AsO4)(OH) is orthorhombic, space group P212121 with a = 7.768(1), b = 9. 211(1), c = 5.999(1) Å, Z = 4; the structure has been refined to R = 4.6% and Rw = 6.5% using 640 observed reflections [F> 2σ(F)]. The structure consists of chains of edge-sharing CuO6 ‘octahedra’, parallel to c; which are linked via AsO4 tetrahedra and Pb atoms in distorted square antiprismatic co-ordination to form a three dimensional network. The CuO6 ‘octahedra’ show Jahn-Teller distortion with the elongation running approximately along <627>. The hydrogen bonding network in the structure was characterized using bond valence calculations. ‘β-duftite’ is an intermediate in the duftite-conichalcite series, which has a modulated structure based on the intergrowth of the two structures in domains of approximately 50 Å. The origin of the modulation is thought to be associated with displacements in the oxygen lattice and is related to the orientation of the Jahn-Teller distortion of CuO6 ‘octahedra’. Approximately half of the strips show an elongation parallel to <627> while the other strips are elongated parallel to [010]. This ordering results in an increase in the b cell repeat compared to duftite and conichalcite.

Erdalkaliquadratate, I BaC4O4 · 3H2O / Alkaline-earth Squarates, I BaC4O4 · 3H2O

1986 ◽  
Vol 41 (12) ◽  
pp. 1485-1489 ◽  
Author(s):  
Christian Robl ◽  
Armin Weiss
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Silica Gel ◽  
Alkaline Earth ◽  
Three Dimensional ◽  
Water Molecules ◽  
Bond Lengths ◽  
Resonance Stabilization ◽  
Aqueous Silica

Abstract BaC4O4-3H2O was prepared by crystallization in aqueous silica gel. The crystal structure is a complicated three-dimensional framework. Ba2+ has CN 8+1. It is surrounded by 5 water molecules and 4 Osquarate atoms (Ba-O distances from 271.1 to 324.2 pm). The squarate dianion is almost planar and shows C -C and C-O bond lengths indicating the existence of resonance stabilization, although one Osquarate atom is not connected to Ba2+ at all. Short water-Osquarate distances hint to strong hydrogen bonding which obviously plays an important part in this structure.

Four (2,2′-bipyridyl)(ferrocenyl)boronium derivatives

2015 ◽  
Vol 71 (1) ◽  
pp. 26-31 ◽  
Author(s):  
Jan W. Bats ◽  
Kuangbiao Ma ◽  
Hans-Wolfram Lerner
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Tetrahedral Coordination ◽  
Asymmetric Unit ◽  
Bond Lengths ◽  
Distorted Tetrahedral Coordination

Crystal structures are reported for four (2,2′-bipyridyl)(ferrocenyl)boronium derivatives, namely (2,2′-bipyridyl)(ethenyl)(ferrocenyl)boronium hexafluoridophosphate, [Fe(C5H5)(C17H15BN2)]PF6, (Ib), (2,2′-bipyridyl)(tert-butylamino)(ferrocenyl)boronium bromide, [Fe(C5H5)(C19H22BN3)]Br, (IIa), (2,2′-bipyridyl)(ferrocenyl)(4-methoxyphenylamino)boronium hexafluoridophosphate acetonitrile hemisolvate, [Fe(C5H5)(C22H20BN3O)]PF6·0.5CH3CN, (IIIb), and 1,1′-bis[(2,2′-bipyridyl)(cyanomethyl)boronium]ferrocene bis(hexafluoridophosphate), [Fe(C17H14BN3)2](PF6)2, (IVb). The asymmetric unit of (IIIb) contains two independent cations with very similar conformations. The B atom has a distorted tetrahedral coordination in all four structures. The cyclopentadienyl rings of (Ib), (IIa) and (IIIb) are approximately eclipsed, while a bisecting conformation is found for (IVb). The N—H groups of (IIa) and (IIIb) are shielded by the ferrocenyl andtert-butyl or phenyl groups and are therefore not involved in hydrogen bonding. The B—N(amine) bond lengths are shortened by delocalization of π-electrons. In the cations with an amine substituent at boron, the B—N(bipyridyl) bonds are 0.035 (3) Å longer than in the cations with a methylene C atom bonded to boron. A similar lengthening of the B—N(bipyridyl) bonds is found in a survey of related cations with an oxy group attached to the B atom.

Bis{4-[2-(2-hydroxyphenyl)ethyleneamino]phenyl} ether

2006 ◽  
Vol 62 (5) ◽  
pp. o2056-o2058
Author(s):  
Şerife Pınar ◽  
Mehmet Akkurt ◽  
Ali Asghar Jarrahpour ◽  
Shadab Rezaei ◽  
Orhan Büyükgüngör
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Phenyl Ether ◽  
Asymmetric Unit ◽  
Bond Lengths ◽  
Compound C

In the title compound, C28H24N2O3, the two molecules in the asymmetric unit have different conformations about the ether bonds. The bond lengths and angles of the two molecules are nearly identical. The crystal structure is stabilized by intramolecular O—H...N and intermolecular C—H...O hydrogen bonding.

Effect of N–H⋯S amide–thiolate hydrogen bonding on bond lengths in rubredoxin models [(CH3)3NCH2CONH2]2[M(S2-o-xyl)2]

1999 ◽  
Vol 291 (1-2) ◽  
pp. 388-394 ◽  
Author(s):  
Wesley P. Chung ◽  
John C. Dewan ◽  
Mark Tuckerman ◽  
Marc A. Walters
Keyword(s):  
Hydrogen Bonding ◽  
Bond Lengths
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