Results 161 to 170 of about 19,276 (249)

Crystal Structure and Hirshfeld Surface Analysis of Hexakis(acetoxymethyl)benzene

Molbank
Representatives of the hexasubstituted benzene derivatives, also known as hexa-hosts, have been the subject of extensive studies in solution and in the solid state, including the investigation of their ability to act as artificial receptors for various ...
Manuel Stapf, Wilhelm Seichter, Monika Mazik   +2 more
doaj   +1 more source

A Hirshfeld Surface Analysis and Crystal Structure of 2’-[1-(2-Fluoro-Phenyl)-1H-tetrazol-5-Yl]-4-Methoxy-Biphenyl-2-Carbaldehyde

, 2013
S. Madan Kumar, B. C. Manjunath, Gejjalagere S. Lingaraju, Muneer Abdoh, Maralinganadoddi P. Sadashiva, N.K. Lokanath   +5 more
openalex   +2 more sources

Synthesis, spectroscopic studies, X-ray crystal structure and Hirshfeld surface analysis of unprecedented symmetrical trans-alpha,alpha '-bis(diphenylphosphoryl)cycloalkanol derivatives

, 2019
Jebli, Nejib, Stevens, Christian, Touil, Soufiane, Van Hecke, Kristof   +3 more
core   +1 more source

Synthesis, X-Ray Crystal Structure Study, Hirshfeld Surface Analysis, and Biological Activity of N-(2-amino-phenyl)-2-methyl-benzamide [PDF]

, 2016
Latha Rani Nagaraju, Lakshmi Ranganatha Venkataravanappa, S.M. Anandalwar, Shaukath Ara Khanum   +3 more
openalex   +1 more source

Crystal structure and Hirshfeld surface analysis of anhydrous salt of levofloxacin and 4-methyl-benzoic acid. [PDF]

Acta Crystallogr E Crystallogr Commun
Patel BC, Modi KM, Reddy JP.
europepmc   +1 more source

QuickFF: a program for a quick and easy derivation of force fields for metal-organic frameworks from ab initio input [PDF]

, 2015
Addicoat, Allinger, Allinger, Amirjalayer, Arstad, Barone, Bayly, Becke, Becke, Bolton, Bristow, Bultinck, Bureekaew, Burger, Burger, Cacelli, Charifson, Colon, Cornell, Coudert, Cramer, Düren, Frisch, Frisch, Garberoglio, Ghysels, Ghysels, Grimme, Grimme, Hirshfeld, Huang, Jorgensen, Jorgensen, Karra, Kollman, Kraft, Krishnan, Kuang, Leach, Lee, Li, Liu, Liu, Llewellyn, Llewellyn, Loiseau, MacKerell, MacKerell, MacKerell, Maple, Mayne, Mayo, McLean, O'Boyle, Pera-Titus, Piccini, Ramsahye, Rappé, Salles, Salles, Salles, Somers, Sousa, Stavitski, Tafipolsky, Vanduyfhuys, Vanommeslaeghe, Verstraelen, Walker, Wang, Wehring, Weiner, Weiner, Wilmer, Yang, Yot, Zhao, Zhao, Zygmunt   +78 more
core   +2 more sources

Synthesis, crystal structure and Hirshfeld surface analysis of 1-[3-(2-oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)propyl]-3-phenyl-1,2-dihydroquinoxalin-2-one [PDF]

Nadeem Abad, Joel T. Mague, Abdulsalam Alsubari, El Mokhtar Essassi, Abdullah Yahya Abdullah Alzahrani, Youssef Ramli   +5 more
openalex   +1 more source

Distinct coordination geometries in bis[N,N-bis(2-methoxyethyl)dithiocarbamato-κ²S,S′]diphenyltin(IV) and bis[N-(2-methoxyethyl)-N-methyldithiocarbamato-κ²S,S′]diphenyltin(IV): crystal structures and Hirshfeld surface analysis [PDF]

, 2016
Rapidah Mohamad, Normah Awang, Mukesh M. Jotani, Edward R. T. Tiekink   +3 more
openalex   +1 more source

Elucidating the isorhamnetin-3-O-glucoside-iNOS interaction via molecular dynamics and Hirshfeld surface analyses. [PDF]

PLoS One
Khibech O, Bouammali H, Hammouti Y, Bouhrim M, Merzouki M, Abadi S, Al-Zharani M, Nasr FA, Qurtam AA, Bouammalli B, Challioui A.   +10 more
europepmc   +1 more source

Synthesis, crystal structure and Hirshfeld surface analysis of a coordination compound of silver nitrate with 2-amino-benzoxazole. [PDF]

Acta Crystallogr E Crystallogr Commun
Razzoqova S, Sadullayeva S, Erkinov S, Torambetov B, Alieva G, Yakhshieva Z, Ashurov J, Kadirova S.   +7 more
europepmc   +1 more source