scholarly journals Crystal Packing Arrangement, Chain Conformation, and Physicochemical Properties of Gemfibrozil Amine Salts

2017 ◽  
Vol 17 (7) ◽  
pp. 3743-3750 ◽  
Author(s):  
Miren Ramirez ◽  
Sarah E. David ◽  
Carl H. Schwalbe ◽  
Kofi Asare-Addo ◽  
Barbara R. Conway ◽  
...  
Keyword(s):  
Physicochemical Properties ◽  
Crystal Packing ◽  
Chain Conformation ◽  
Packing Arrangement ◽  
Amine Salts

Assembly of three pharmaceutical salts/cocrystals of tetrahydroberberine with sulfophenyl acids: improving the properties by formation of charge-assisted hydrogen bonds

2019 ◽  
Vol 43 (12) ◽  
pp. 4886-4894 ◽  
Author(s):  
Lixin Liu ◽  
Dongyu Zou ◽  
Yunan Zhang ◽  
Dajun Zhang ◽  
Yu Zhang ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Physicochemical Properties ◽  
Crystal Packing ◽  
The Self ◽  
Pharmaceutical Salts ◽  
Self Recognition

The self-recognition of CAHBs could stabilize crystal packing of pharmaceutical salts/cocrystals of THB and improve physicochemical properties of THB.

scholarly journals Structural motifs in salts of sulfathiazole: implications for design of salt forms in pharmaceuticals APIs

CrystEngComm ◽  
2018 ◽  
Vol 20 (24) ◽  
pp. 3428-3434
Author(s):  
Colin C. Seaton ◽  
Rayan R. Thomas ◽  
Eman A. A. Essifaow ◽  
Elisa Nauha ◽  
Tasnim Munshi ◽  
...  
Keyword(s):  
Physicochemical Properties ◽  
Crystal Packing ◽  
Active Pharmaceutical Ingredients ◽  
Structural Motifs ◽  
Pharmaceutical Ingredients ◽  
The Creation ◽  
Salt Forms

The creation of salts is a frequently used approach to modify physicochemical properties of active pharmaceutical ingredients. This work prepares a collection of sulfathiazole salts to probe the influence of counterion structure on crystal packing.

Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing

2018 ◽  
Vol 54 (76) ◽  
pp. 10675-10678 ◽  
Author(s):  
Lalita Negi ◽  
Ashutosh Shrivastava ◽  
Dinabandhu Das
Keyword(s):  
Crystal Structure ◽  
Thermal Expansion ◽  
Crystal Packing ◽  
Unusual Phenomenon ◽  
Packing Arrangement ◽  
Thermal Vibrations

Switching from positive to negative axial thermal expansion was observed in two organic crystalline compounds with similar crystal packing. This unusual phenomenon has been explained by the packing arrangement of molecules in the crystal structure and transverse thermal vibrations of atoms.

A water wire inL-prolyl-L-serine monohydrate

2013 ◽  
Vol 69 (5) ◽  
pp. 556-559 ◽  
Author(s):  
Carl Henrik Görbitz ◽  
Vitthal N. Yadav
Keyword(s):  
Title Compound ◽  
Functional Group ◽  
Crystal Packing ◽  
Side Chain ◽  
Propanoic Acid ◽  
Water Molecules ◽  
Packing Arrangement ◽  
Hydroxy Groups ◽  
Hydrogen Bonded

Despite the extra functional group in the serine side chain, the crystal packing arrangement of the title compound {systematic name: (S)-3-hydroxy-2-[(S)-pyrrolidine-2-carboxamido]propanoic acid monohydrate}, C8H14N2O4·H2O, is essentially the same as observed for a series of L-Pro-L-Nop peptide hydrates, where Nop is a strictly nonpolar residue. This is rendered possible by a monoclinicP21packing arrangement withZ′ = 2 that deviates from orthorhombicP212121symmetry only for the seryl hydroxy groups, which form infinite O—H...O—H hydrogen-bonded chains along the 5.3 Åaaxis. At the same time, cocrystallized water molecules form parallel water wires.

Z′ = 4 structure without obvious pseudosymmetry: implications for the formation of solid-state compounds

2001 ◽  
Vol 58 (1) ◽  
pp. 140-147 ◽  
Author(s):  
Hans-Joachim Lehmler ◽  
Larry W. Robertson ◽  
Sean Parkin ◽  
Carolyn Pratt Brock
Keyword(s):  
Solid State ◽  
Crystal Packing ◽  
Structure Type ◽  
Hydroxyl Groups ◽  
Approximate Symmetry ◽  
Compound Formation ◽  
Hydrogen Bond Formation ◽  
Molecular Arrangement ◽  
Independent Molecules ◽  
Packing Arrangement

Crystals of 4-chloro-2′-biphenylol grown at 263 K and studied at both 293 and 142 K are loosely packed and contain OH...O bonded tetramers composed of four crystallographically independent molecules (Z′ = 4). Approximate symmetry relationships between independent molecules are apparent in many, perhaps even most, structures with Z′ > 1, but are not obvious in this structure. The inefficient crystal packing, the surprisingly large value of Z′ and the absence of pseudosymmetry reflect the difficulty of finding a dense molecular arrangement that also allows for hydrogen-bond formation. Impediments to good packing are the steric congestion around the ortho hydroxyl groups and the difficulty in filling space with significantly twisted biphenyl fragments. The packing arrangement adopted is strongly reminiscent of the structure type found for eight simple 4,4′-biphenyl derivatives, but one of the four independent 4-chloro-2′-biphenylol molecules has an orientation that is significantly different from the orientations of the other three and that does not fit the 4,4′-XPhPhY pattern. It is suggested that molecules that crystallize with Z′ > 1 are good candidates for solid-state compound formation.

scholarly journals Crystal structure of catena-poly[[(μ-6-{[bis(pyridin-2-ylmethyl)amino]methyl}pyridine-2-carboxylato)copper(II)] perchlorate acetonitrile monosolvate]

2019 ◽  
Vol 75 (6) ◽  
pp. 789-793
Author(s):  
Giacomo Cioncoloni ◽  
Claire Wilson ◽  
Isolda Roger ◽  
Mark D. Symes
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Crystal Packing ◽  
Complex Molecule ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Two Component ◽  
Packing Arrangement ◽  
Amine Ligand

The crystal structure of the title compound, {[Cu(C19H17N4O2)]ClO4·C2H3N} n , is reported and compared to similar structures in the literature. The compound crystallizes in the monoclinic space group P21. The unit cell contains one complex molecule in addition to perchlorate as the counter-ion and solvent (acetonitrile). The crystal packing evinces extended chains whereby the carboxylate moiety on the 6-carboxylato-2-(pyridylmethyl)bis(pyridin-2-ylmethyl)amine ligand bridges between two different copper centers in adjacent molecules. This packing arrangement for the title compound appears to be unique when compared to allied structures in the literature. The perchlorate anion showed signs of disorder and its oxygen atoms were modelled over two sets of partially occupied sites, the occupancy of which was competitively refined to 0.564 (12)/0.436 (12). The crystal studied was refined as a two-component inversion twin.

scholarly journals Ethyl 2-(2-methyl-4-nitro-1H-imidazol-1-yl)acetate

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
Yassine Hakmaoui ◽  
El Mostapha Rakib ◽  
Souad Mojahidi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Imidazole Ring ◽  
Compound C ◽  
Dimensional Network ◽  
The Mean ◽  
Packing Arrangement ◽  
The Stability

In the title compound, C8H11N3O4, the imidazole ring and the nitro group are nearly coplanar, with the largest deviation from the mean plane being 0.119 (2) Å. The mean plane through the acetate group is approximately perpendicular to the imidazole ring, subtending a dihedral angle of 75.71 (13)°. In the crystal, molecules are linked by weak C—H...O and very weak C—H...N hydrogen bonds, forming a three-dimensional network. There is also a weak C—H...π(imidazole) interaction, which contributes to the stability of the crystal packing arrangement.

scholarly journals Copper(II) Halide Salts with 1-(4′-Pyridyl)-Pyridinediium

Inorganics ◽  
2020 ◽  
Vol 8 (3) ◽  
pp. 18 ◽  
Author(s):  
Jeffrey C. Monroe ◽  
Christopher P. Landee ◽  
Melanie Rademeyer ◽  
Mark M. Turnbull
Keyword(s):  
Magnetic Properties ◽  
Magnetic Susceptibility ◽  
Hydrogen Bonding ◽  
Room Temperature ◽  
Crystal Packing ◽  
Monoclinic Space Group ◽  
Antiferromagnetic Exchange ◽  
Temperature Dependent ◽  
Packing Arrangement ◽  
Halide Salts

The compounds [1,4′-bipyridine]-1,1′-diium [CuCl4] (1) and [1,4′-bipyridine]-1,1′-diium [CuBr4] (2) were prepared and their crystal structures and magnetic properties are reported. The compounds are isomorphous and crystallize in the monoclinic space group C2/c. The cation crystallizes in a two-fold disordered fashion with the terminal nitrogen and carbon atoms exhibiting 50% occupancies. This results in a crystal packing arrangement with significant hydrogen bonding that is very similar to that observed in the corresponding 4,4′-bipyridinediium complexes. Temperature dependent magnetic susceptibility measurements and room temperature EPR spectroscopy indicate the presence of very weak antiferromagnetic exchange. The data were fit to the Curie–Weiss law and yielded Weiss constants of −0.26(5) K (1) and −1.0(1) K (2).

Channel-Type Crystal Packing in the Very Rare Space Group P4212 with Z' = 3/4: Crystal Structure of the Complex γ-Cyclodextrin–Methanol–n-Hydrate

1998 ◽  
Vol 54 (4) ◽  
pp. 450-455 ◽  
Author(s):  
T. Steiner ◽  
W. Saenger
Keyword(s):  
Crystal Structure ◽  
Crystal Packing ◽  
Cell Content ◽  
Guest Molecules ◽  
Space Group ◽  
Cyclodextrin Inclusion Complexes ◽  
Packing Arrangement ◽  
Type Crystal ◽  
Channel Type

The crystal structure of the title compound is discussed with focus on its unusual crystal packing mode. The γ-cyclodextrin molecules stack in columns which have internal channels and additional large channels are formed between the columns. Both types of channels are so wide that more or less free diffusion of water and small guest molecules is possible, preventing characterization of the solvent and guest arrangements. Although the space group P4212 (no. 90) and the unit-cell content Z′ = 3\over 4 are extremely rare in general, this is the favorite crystal packing arrangement of γ-cyclodextrin inclusion complexes. This space group has not been observed as yet for other purely organic compounds.

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