Journal ArticleDOI
Recurrence of carboxylic acid-pyridine supramolecular synthon in the crystal structures of some pyrazinecarboxylic acids.
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TLDR
X-ray crystal structures of pyrazinic acid 1 and isomeric methylpyrazine carboxylic acids 2-4 are analyzed to examine the occurrence of car boxylic acid-pyridine supramolecular synthon V in these heterocyclic acids.Abstract:
X-ray crystal structures of pyrazinic acid 1 and isomeric methylpyrazine carboxylic acids 2-4 are analyzed to examine the occurrence of carboxylic acid-pyridine supramolecular synthon V in these heterocyclic acids. Synthon V, assembled by (carboxyl)O-H...N(pyridine) and (pyridine)C-H...O(carbonyl) hydrogen bonds, controls self-assembly in the crystal structures of pyridine and pyrazine monocarboxylic acids. The recurrence of acid-pyridine heterodimer V compared to the more common acid-acid homodimer I in the crystal structures of pyridine and pyrazine monocarboxylic acids is explained by energy computations in the RHF 6-31G* basis set. Both the O-H.N and the C-H...O hydrogen bonds in synthon V result from activated acidic donor and basic acceptor atoms in 1-4. Pyrazine 2,3- and 2,5-dicarboxylic acids 10 and 11 crystallize as dihydrates with a (carboxyl)O-H...O(water) hydrogen bond in synthon VII, a recurring pattern in the diacid structures. In summary, the carboxylic acid group forms an O-H...N hydrogen bond in pyrazine monocarboxylic acids and an O-H...O hydrogen bond in pyrazine dicarboxylic acids. This structural analysis correlates molecular features with supramolecular synthons in pyridine and pyrazine carboxylic acids for future crystal engineering strategies.read more
Citations
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Synthesis and structural studies on the supramolecular architecture of two novel proton transfer molecular salts of 2−Aminopyridine
P. J. Srijana,Badiadka Narayana,Balladka Kunhanna Sarojini,Qin Ai Wong,Ching Kheng Quah,U. Likhitha +5 more
TL;DR: In this paper , the synthesis, analytical and structural characterization of two new molecular salts (AP − PHBA and AP − NA) of 2 − aminopyridine (AP) using GRAS molecules has been envisaged.
Spin State of Iron(II) Clathrochelate in the Cocrystallization Products with 2-Aminopyridine and 2-Hydroxypyridine
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Synthesis, crystal growth, thermal, density functional theory, linear and nonlinear optical properties of 3-Aminopyridinium-2-chloro-4-nitrobenzoate single crystal
TL;DR: In this article , a 3rd-order nonlinear optical compound 3-Aminopyridinium-2-chloro-4-nitrobenzoate (3AP2C4N) was successfully synthesized by following the slow-cooling solution growth technology.
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Preparation of N, N, N′, N′-tetrakis-(2-benzimidazolylmethyl)-1,2-ethanediamine and crystal assemblies of the relative complexes
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Journal ArticleDOI
Energetics of carboxylic acid–pyridine heterosynthon revisited: A computational study of intermolecular hydrogen bond domination on phenylacetic acid–nicotinamide cocrystals
Aris Perdana Kusuma,Sundani Nurono Soewandhi,Rachmat Mauludin,Veinardi Suendo,Fransiska Stefanny Olive Kurniawan,Gawang Pamungkas,Yuda Prasetya Nugraha +6 more
TL;DR: In this article , the authors used a computational model to assess the most important factor in the emergence of the synthon in cocrystal packing and found that there is no other parameter better than EHB to describe the superiority of Carboxylic acid-pyridine heterosynthon in PYCNIC.
References
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