Supramolecular interactions in the structures of carboxylate derivatives of cymantrene and single-charged cations

Koroteev, Pavel S.; Кискин, М. А.; Dobrokhotova, Zhanna V.; Новоторцев, В. М.

doi:10.1016/j.molstruc.2012.08.038

Cited by 16 publications

(5 citation statements)

References 40 publications

(52 reference statements)

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“…A search of the Cambridge Structural Database for salts formed between carboxylic acids and triethanolamine revealed structure determinations of 14 different salts, comprising 17 independent ion pairs. In 12 of the cations all three H–N–C–C torsion angles are gauche , precluding any intermolecular N–H···O hydrogen bonding except with the blade-like cymantrenecarboxylate ion . In the other five cations, as in the present structure, one of these torsion angles is trans.…”

Section: Resultsmentioning

confidence: 57%

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

Ramirez

David

Schwalbe

et al. 2017

Crystal Growth & Design

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Salt formation is used to optimize pharmaceutical properties for carboxylic acid drugs but selection can often be empirical. An extended series of salts of the anti-hyperlipidaemia carboxylic acid drug gemfibrozil was prepared using related series of amine counterions to gain a molecular insight into the impact of crystal packing arrangements on their physicochemical properties. With only a few exceptions, the salts had similar crystal packing motifs. Although there was no discernible relationship between melting point of the salt form and the aqueous solubility of the salt across the whole dataset, there were trends within structurally-related series of salts relating increasing melting enthalpy with increasing molecular weight of the counter ion.3

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Section: Resultsmentioning

confidence: 57%

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

Ramirez

David

Schwalbe

et al. 2017

Crystal Growth & Design

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“…Types A–C are the H-bonding motifs with graph set R 2 2 (8). Among these, the examples of type C were very limited . In type B, an interesting melamine sheet structure was created in which six molecules of melamine were assembled in a cyclic way to give a hexagonal unit .…”

Section: Resultsmentioning

confidence: 99%

Crystal Structures of S-Shaped Phenylenediurea Dibenzoic Acids and Their Cocrystals with Melamine: Unusual Zigzag Tape of H-Bonded Melamine Network

Kohmoto

Sekizawa

Hisamatsu

et al. 2014

Crystal Growth & Design

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Phenylenediurea dibenzoic acid derivatives 1, 2, 3, and 5 and an amide derivative 4 were synthesized, and their molecular structures were elucidated to be an S-shape by single crystal X-ray analysis. Crystals of 1 were obtained as a DMF solvate, while those of 2 and 3 were not. Sheet and ladder structures were created in the crystal packing of 1 and 3, and 2, respectively. Unlike the para-substituted diureas 1−3 which possessed meso-conformation, the meta-substituted diurea 5 exhibited helical-conformation in its crystal structure. The way of crystal packing of 4 is analogous to that of the corresponding dicarboxylic acid derivative 2. A water cluster of a chair-shaped hexagonal array of water molecules was created in the crystal structure of 4. Diureas 1 and 2 gave cocrystals with melamine recrystallized from DMF/ethyl acetate and DMF/H 2 O, respectively. Unusual zigzag tapes of a H-bonding network of melamine were created in both cocrystals. The zigzag tapes were connected with S-shaped diureas by H-bonding to furnish an interpenetrated fishnet-type crystal structure.

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“…In some complexes, TEA has bridging properties (Langley et al, 2011;Atria et al, 2015;Wittick et al, 2006;Sharma et al, 2014;Yang et al, 2014;Funes et al, 2014). In addition, there are metal complexes known in which TEA molecules are uncoordinating (Ilyukhin et al, 2013;Manos et al, 2012). As an ancillary ligand, TEA may enhance the physiological action of bioactive substances in mixed-ligand metal complexes (Boulsourani et al, 2011).…”

Section: Chemical Contextmentioning

confidence: 99%

Crystal structure of the salt bis(triethanolamine-κ⁴N,O,O′,O′′)cadmium bis[2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetate]

Ashurov

2016

Acta Cryst E

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Supramolecular interactions in the structures of carboxylate derivatives of cymantrene and single-charged cations

Cited by 16 publications

References 40 publications

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

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

Crystal Structures of S-Shaped Phenylenediurea Dibenzoic Acids and Their Cocrystals with Melamine: Unusual Zigzag Tape of H-Bonded Melamine Network

Crystal structure of the salt bis(triethanolamine-κ⁴N,O,O′,O′′)cadmium bis[2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetate]

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Supramolecular interactions in the structures of carboxylate derivatives of cymantrene and single-charged cations

Cited by 16 publications

References 40 publications

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

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

Crystal Structures of S-Shaped Phenylenediurea Dibenzoic Acids and Their Cocrystals with Melamine: Unusual Zigzag Tape of H-Bonded Melamine Network

Crystal structure of the salt bis(triethanolamine-κ4N,O,O′,O′′)cadmium bis[2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetate]

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Crystal structure of the salt bis(triethanolamine-κ⁴N,O,O′,O′′)cadmium bis[2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetate]