Results 231 to 240 of about 6,693,171 (268)

Crystal structure and Hirshfeld surface analysis of dimeth-yl(phen-yl)phosphine sulfide. [PDF]

Acta Crystallogr E Crystallogr Commun
Risken R, Kuzu YM, Schmidt A, Strohmann C.   +3 more
europepmc   +1 more source

Crystal structure and Hirshfeld surface analysis of 5-hy-droxy-penta-nehydrazide. [PDF]

Acta Crystallogr E Crystallogr Commun
Justen GA, Carneiro Neto JS, Sousa Santana F, Leiriane Batistel Ribas M, Gomes da Silva de Paula F, Dario PP, Gonçalves Montes D'Oca M.   +6 more
europepmc   +1 more source

Crystal structure, Hirshfeld surface analysis, DFT and mol-ecular docking studies of ethyl 5-amino-2-bromo-isonicotinate. [PDF]

Acta Crystallogr E Crystallogr Commun
Mahadevaiah HK, Shivanna H, Hanumaiah AK, Hirehalli Chikkegowda D, Bandrehalli Siddagangaiah P.   +4 more
europepmc   +1 more source

<i>N</i>‑Alkylated 5,5-Diphenylhydantoin Derivatives: Synthesis, X‑ray, Spectroscopic Characterization, Hirshfeld Surface Analysis, DFT, Molecular Docking, Molecular Dynamics Simulations, and Cholesterol Oxidase Binding Affinity Estimation. [PDF]

ACS Omega
Lamssane H, Haoudi A, Thiruvalluvar AA, Hökelek T, Varadharajan V, Chakroune S, Rodi YK, Mazzah A, Mague JT, Alanazi MM, El Monfalouti H, Sebbar NK.   +11 more
europepmc   +1 more source

Crystal structure and Hirshfeld surface analysis of (E)-N-(2-styrylphen-yl)benzene-sulfonamide. [PDF]

Acta Crystallogr E Crystallogr Commun
Albert A M D, Nagaraj A, Somarathinam K, Vinayagam P, Arasambattu K M, Kothandan G.   +5 more
europepmc   +1 more source

Crystal structure, Hirshfeld surface analysis, DFT and mol-ecular docking studies of 4'-(benz-yloxy)-[1,1'-biphen-yl]-3-carb-oxy-lic acid. [PDF]

Acta Crystallogr E Crystallogr Commun
Kumar MH, Vinduvahini M, Srinivasa HT, Devarajegowda HC, Palakshamurthy BS.   +4 more
europepmc   +1 more source

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Structure property relationship in two thiazole derivatives: Insights of crystal structure, Hirshfeld surface, DFT, QTAIM, NBO and molecular docking studies

Molecular Crystals and Liquid Crystals, 2023
Detailed structural and noncovalent interactions in two thiazole derivatives (N-(4-Bromophenyl)-2-(methylthio)thiazole-5-carboxamide and Ethyl-5-((4-bromophenyl)carbamoyl)thiazole-4-carboxylate) are investigated by single crystal X-ray diffraction study ...
K. Ravi Singh, T. N. Lohith, T. Ananth Nag, M. A. Sridhar, M. P. Sadashiva   +4 more
semanticscholar   +1 more source

Synthesis, Characterisation and Hirshfeld surface analysis of some Mercury(II) molecular adducts with macrocyclic ligands

Research journal of chemistry and environment, 2023
Fifteen complexes of Hg(II) of the type [HgX2.L1-5] with macrocyclic ligands derived from 9,10-phenanthren-quinone and different aliphatic diamines NH2(CH2)nNH2 (where n = 2 or 3 or 4 or 5 or 6) have been synthesised and characterised by elemental ...
Mukta Singh, Rahul Kanaoujiya, S. Srivastava   +2 more
semanticscholar   +1 more source