Supramolecular Packing of a Series of N-Phenylamides and the Role of NH···O═C Interactions

AB Pagliari, T Orlando, PRS Salbego, GC Zimmer… - ACS …, 2018 - ACS Publications
A series of seven N-phenylamides [R–C (O) NHPh, in which R: CH3, C (CH3) 3, Ph, CF3,
CCl3, CBr3, and H] were used as models in this study. Molecular packing and …

Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl) acrylonitriles

P Venkatesan, M Cerón, S Thamotharan, F Robles… - …, 2018 - pubs.rsc.org
A detailed experimental and theoretical investigation on the intermolecular interactions in (Z)-
3-(4-halophenyl)-2-(pyridin-2/3/4-yl) acrylonitriles is reported. The intermolecular …

Structural studies on two new phosphoramides with the same [OC4H8N] P (O) segment by means of single-crystal X-ray diffraction, Hirshfeld surface analysis and 3D …

MS Bozorgvar, A Tarahhomi, A van Der Lee - Journal of Molecular …, 2021 - Elsevier
Two new phosphoramides containing the same [OC 4 H 8 N] P (O) segment (bearing the
substituent morpholine) accompanied by different [C (O) NH] P (O)[N] 2 (phosphoric …

Spectral, quantum chemical, X-ray crystallographic, Hirshfeld surface, energy framework, and molecular docking investigations of 4-acetylphenyl 4 …

D Singh, R Sharma, A Nikam, J Jadhav… - Journal of Molecular …, 2024 - Elsevier
acetylphenyl 4-methylbenzenesulfonate (C 15 H 14 O 4 S), a tosyl ester derivative, has been
synthesized and characterized by spectroscopic and single crystal X-ray diffraction (SCXRD) …

Synthesis, crystal structure, Hirshfeld surface analysis, and DFT studies of 2-bromo-4, 6-bis (dibromoacetyl) resorcinol

K Loganathan, A Anandan, M Purushothaman… - Structural Chemistry, 2024 - Springer
The synthesis and crystal structure of 2-bromo-4, 6-bis (dibromoacetyl) resorcinol, I, was
reported. In the title compound, I, crystalized in the triclinic crystal system with Pī space …

Insights into the weak Csp3–H··· H–Csp3 mediated supramolecular architecture in ethyl 2-(5-bromopentanamido)-4, 5, 6, 7-tetrahydrobenzo [b] thiophene-3 …

HA Al-Ghulikah, A Gopalan, LPS Vahisan… - Journal of Molecular …, 2020 - Elsevier
We report a detailed investigation of the weak noncovalent interactions exist in the crystal
structure of the title benzo [b] thiophene derivative. It crystallizes in triclinic system with the …

Supramolecular X-ray and Quantum Chemical Analysis of 4-(2-amino-2-oxoethyl) phenyl 4-methylbenzenesulfonate: A Tosyl Ester Derivative

D Singh, R Sharma, A Nikam, J Jadhav… - Journal of Chemical …, 2024 - Springer
(2-amino-2-oxoethyl) phenyl 4-methylbenzenesulfonate (APMBS), a novel compound, has
been synthesized and characterized by spectro-analytical techniques. X-ray diffraction data …

Synthesis, characterization, in vitro biological and molecular docking evaluation of N,N'-(ethane-1,2-diyl)bis(benzamides)

H Aziz, A Saeed, F Jabeen, N Ullah… - Journal of the Iranian …, 2021 - Springer
The present research describes the synthesis, characterization, in vitro biological and
docking evaluation of N, N'-(ethane-1, 2-diyl) bis (benzamides)(3a-3j). Consequently, in in …

Quantitative investigation on the intermolecular interactions present in 8-(4-ethoxyphenyl)-1, 3-dimethyl-3, 7-dihydro-1H-purine-2, 6-dione with insight from interaction …

R Shukla, P Bandopadhyay, M Sathe… - Journal of Chemical …, 2020 - Springer
In this study, we have performed a detailed quantitative analysis of the different
intermolecular interactions present in 8-(4-ethoxyphenyl)-1, 3-dimethyl-3, 7-dihydro-1H …

Chemical Reactivity and Quantifying the Intra‐and Intermolecular Interactions in Zwitterionic Compounds

P Kowsalya, NSP Bhuvanesh… - ChemistrySelect, 2018 - Wiley Online Library
A zwitterionic Schiff base,(E)‐2‐((2‐(1‐hydroxyethyl) phenyliminio) methyl‐6‐
methoxyphenolate (L1) was prepared and fully characterized by spectral methods. The …