An energetic and topological approach to understanding the interplay of noncovalent interactions in a series of crystalline spiropyrrolizine compounds
Synthesis of quinoline-containing spiropyrrolizine was achieved via a 1, 3-dipolar
cycloaddition reaction of azomethine ylide (generated in situ from ninhydrin and l-proline) …
cycloaddition reaction of azomethine ylide (generated in situ from ninhydrin and l-proline) …
A combined experimental and theoretical studies of two new Co (II)–PDA complexes: Unusual 2D and 3D supramolecular networks [PDA= 2, 6-pyridinedicarboxylic …
Two new Co (II) complexes,{[Co (2, 6-pydc) 2]·[Co (4, 4′-tmdpy)(H 2 O) 4] n· 2H 2 O}(1) and
{2 [Co (2, 6-pydc) 2] 2-·[2 (4, 4′-bpy] 2+· 10 (H 2 O)· O}(2)[2, 6-pydc= 2, 6 …
{2 [Co (2, 6-pydc) 2] 2-·[2 (4, 4′-bpy] 2+· 10 (H 2 O)· O}(2)[2, 6-pydc= 2, 6 …
On the importance of unconventional Cu⋯ π interaction in tetrachloro-bis (1, 10-phenanthroline)-dicopper (II) complex: Insights from experiment and theory
P Dey, A Hossain, SK Seth - Journal of Molecular Structure, 2024 - Elsevier
A copper-phenanthroline complex, namely [bis (μ 2‑chloro)-dichloro-bis (1, 10-
phenanthroline)-di-copper (II)] has been synthesized and structurally characterized by single …
phenanthroline)-di-copper (II)] has been synthesized and structurally characterized by single …
Synthesis, non-covalent interactions and chemical reactivity of 1-pentyl-3-phenylquinoxalin-2 (1H)-one—Structural and computational studies
This contribution presents the synthesis of a new quinoxaline derivative, 1-pentyl-3-
phenylquinoxalin-2 (1H)-one with formula C 19 H 20 N 2 O, through an alkylation reaction …
phenylquinoxalin-2 (1H)-one with formula C 19 H 20 N 2 O, through an alkylation reaction …
Structural and computational insights into two trimethylenedipyridine co-crystals: Inputs from X-ray diffraction, Hirshfeld surface, PIXEL, QTAIM and NCI plots
Abstract Two trimethylenedipyridine co-crystals,[(TMDP)·(H 2 OBA)](1) and
[(TMDP)·(SUC)](2)[TMDP= 4, 4′-trimethylenedipyridine, H 2 OBA= 4, 4′-oxybis (benzoic …
[(TMDP)·(SUC)](2)[TMDP= 4, 4′-trimethylenedipyridine, H 2 OBA= 4, 4′-oxybis (benzoic …
Insights into the structural investigation of metal-complexes with 1, 3-diamino-2-hydroxypropanetetraacetic acid: Inputs from X-ray and computational studies
Abstract A new 1, 3-diamino-2-hydroxypropanetetraacetate copper complex (1)[{Cu
(Hpdta)}{Cu (H 2 O) 6}] has been synthesized and structurally characterized by single crystal …
(Hpdta)}{Cu (H 2 O) 6}] has been synthesized and structurally characterized by single crystal …
Exploring Solid‐State Supramolecular Architectures of Penta (carboxymethyl) diethylenetriamine: Experimental Observation and Theoretical Studies
Crystals of penta (carboxymethyl) diethylenetriamine have been structurally characterized
through single‐crystal X‐ray diffraction analysis. X‐ray diffraction analysis reveals that …
through single‐crystal X‐ray diffraction analysis. X‐ray diffraction analysis reveals that …
Synthesis, characterization, crystal structure, Hirshfeld analysis and theoretical investigation of 5-(4-methoxyphenyl)-7-phenyl-2-(pyridin-2-yl) imidazo [1, 2-a] pyridine …
Abstract Synthesis of 5-(4-methoxyphenyl)-7-phenyl-2-(pyridin-2-yl) imidazo [1, 2-a] pyridine-
8-carbonitrile has been carried out by the reaction between 1-(pyridin-2-yl) ethanone and 2 …
8-carbonitrile has been carried out by the reaction between 1-(pyridin-2-yl) ethanone and 2 …
Structural elucidation and various computational studies for quantitative investigation of intermolecular interactions in pyridine-2, 6-dicarboxylic acid and its di-hydrate
Abstract Crystals of pyridine-2, 6-dicarboxylic acid (1) have been structurally characterized
through single-crystal X-ray diffraction analysis and compared with pyridine-2, 6-dicarboxylic …
through single-crystal X-ray diffraction analysis and compared with pyridine-2, 6-dicarboxylic …
An experimental and computational investigation of the elusive anhydrous form of Oxyma-B
We report the crystal structure of the anhydrous form of Oxyma-B, a relevant racemization
suppressor for peptide synthesis, solved by direct space methodologies with X-Ray Powder …
suppressor for peptide synthesis, solved by direct space methodologies with X-Ray Powder …