ChemInform Abstract: Crystal Chemistry of Tetraradial Species. Part 9. The Versatile BPh4- Anion, or How Organoammonium H(N) Atoms Compete for Hydrogen Bonding.

ChemInform ◽  
2010 ◽  
Vol 29 (52) ◽  
pp. no-no
Author(s):  
K. N. ROBERTSON ◽  
P. K. BAKSHI ◽  
S. D. LANTOS ◽  
T. S. CAMERON ◽  
O. KNOP
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Chemistry

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.

A Novel Sodium and Chromium Borophosphate Na{Cr[BP2O7(OH)3]}: Synthesis, Crystal Structure, Hydrogen Bonding, and Comparative Crystal Chemistry

2019 ◽  
Vol 64 (2) ◽  
pp. 228-238 ◽  
Author(s):  
N. A. Yamnova ◽  
S. M. Aksenov ◽  
E. Yu. Borovikova ◽  
A. S. Volkov ◽  
O. A. Gurbanova ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Crystal Chemistry

Crystal chemistry of tetraradial species. Part 4. Hydrogen bonding to aromatic π systems: crystal structures of fifteen tetraphenylborates with organic ammonium cations

1994 ◽  
Vol 72 (5) ◽  
pp. 1273-1293 ◽  
Author(s):  
Pradip K. Bakshi ◽  
Antony Linden ◽  
Beverly R. Vincent ◽  
Stephen P. Roe ◽  
D. Adhikesavalu ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Crystal Chemistry ◽  
Phenyl Ring ◽  
Orientational Disorder ◽  
Compromise Solutions ◽  
The Mean ◽  
General Organization

The aim of this investigation is to provide a classification and examples of N—H …π (and also O—H …π) bonds to the aromatic π systems in organic ammonium tetraphenylborates that would serve as reference for X—H …π(arene) bonds in general. To this end the crystal structures of the tetraphenylborates of the following cations have been determined: Me3NH+, Et3NH+, quinuclidinium, DabcoH+, Et(iso-Pr)2NH+ (monohydrate), (Ph3B)NH[—(CH2)2—]2NHMe+ (Me2CO solvate), Me2NH2+ (MeCN and Et2CO solvates), Et2NH2+, (iso-Pr)2NH2+, azoniacycloheptane, guanidinium (monohydrate), MeNH3+, EtNH3+, and 1-adamantammonium (monohydrate). These structures contain a variety of normal, bifurcated, and trifurcated N—H …π bonds as well as normal O—H …π bonds to the phenyl groups of the anion. The X—H …π bonds will form whenever opportunity arises, even though the result may be unfavourable bonding geometry. Branched bonds and orientational disorder represent compromise solutions in situations where the H(X) hydrogens are presented with competing phenyl acceptors or where the general organization of the crystal structure offers unfavourable bonding conditions to these hydrogens. The distributions of the distances from X or H(X) to the centre of the phenyl-ring skeleton are analyzed in detail, as are also those of the mean X … C and H(X)… C distances to the ring carbons.

scholarly journals A Comprehensive Mini Review on Co-Crystallization Process

2021 ◽  
pp. 211-217
Author(s):  
Ananga Mohan Das ◽  
Ruhul Amin ◽  
Satyabrat Sarma ◽  
Biplab Kumar Dey ◽  
Faruk Alam
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Functional Groups ◽  
Crystal Chemistry ◽  
Crystallization Process ◽  
Active Pharmaceutical Ingredient ◽  
Performance Characteristics ◽  
Proper Understanding ◽  
Alternate Pathway

Co‑crystal chemistry has recently attracted supramolecular scientists. Co-crystals are comprising of hydrogen bonding assembly between different molecules. Many issues related to the performance characteristics of an active pharmaceutical ingredient (API) can be resolved using the co-crystallization approach. A proper understanding of the crystal structure of an API is required for the successful formation of co-crystals with the selected co‑former. Co-crystal chemistry has recently attracted scientists from the super molecules. Co crystals consist of the assembly of hydrogen bonds between various molecules. Many problems related to the performance characteristics of an active pharmaceutical ingredient (API) can be solved using the method of co-crystallization. Co-Crystals offer an alternate pathway where any API, paying little mind to be acidic, essential, or ionizable gatherings, might be co-gem. This aspect also helps to complement existing methods by reintroducing molecules with limited pharmaceutical profiles based on their non-ionizable functional groups.

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.

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