Keyword Connections

Hirshfeld

Journals

1

1 Şırnak Üniversitesi fen bilimleri dergisi

Research Groups

0

No Research Group Connected

Bibliographies

36

1 Tek Kristal Bileşiğin Teorik ve Deneysel Yöntemlerle İncelenmesi

2 Synthesis, spectroscopic characterization, crystal structure and Hirshfeld surface analysis of Co(III), Ni(II) and VO(IV) metal complexes with a novel Schiff base ligand and their antimicrobial activities

3 2-{[2,8-Bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium trichloroacetate: crystal structure and Hirshfeld surface analysis

4 Synthesis, molecular structure, Hirshfeld surface analysis, spectroscopic and computational studies (DFT) of 6,6'-((1E,1'E)-(1,2-phenylenebis(azanylylidene))bis(methanylylidene))bis(2-(tert-butyl)-4-methylphenol)

5 An investigation of supramolecular synthons in 1,2,4-triazole-3(4H)-thione compounds. X-ray crystal structures, energetic and Hirshfeld surface analysis

6 Hirshfeld surface analysis and DFT studies on molecular structure, vibrational spectra, NMR chemical shifts and NBO analysis of Bis(2-hydroxyethyl(phenyl)carbamodithioate) nickel (II)

7 Crystal growth, structural, optical, vibrational analysis, Hirshfeld surface and quantum chemical calculations of 1, 3, 5-triphenylbenzene single crystal

8 Spectroscopic, XRD, Hirshfeld surface and DFT approach (chemical activity, ECT, NBO, FFA, NLO, MEP, NPA& MPA) of (E)-4-bromo-2-[(4-bromophenylimino)methyl]-6-ethoxyphenol

9 Crystal structure, Hirshfeld analysis and mol-ecular docking with the vascular endothelial growth factor receptor-2 of (3)-5-fluoro-3-(hy-droxy-imino)-indolin-2-one.

10 Synthesis, crystal structure, DFT calculations, Hirshfeld surfaces, and antibacterial activities of schiff base based on imidazole

11 Corrigendum: Crystal structure and Hirshfeld surface analysis and of 2-ammoniumylmethyl-1H-benzimidazol-3-ium chloride monohydrate (Acta Crystallographica Section E: Crystallographic Communications (2018) E74 (1517-1520) DOI: 10.1107/S205698901801335X)

12 Corrigendum: Crystal structure and Hirshfeld surface analysis of (E)-N-[(2-ethoxynaphthalen-1-yl)methylidene]-5,6,7,8-tetrahydronaphthalen-1-amine (Acta Crystallographica Section E: Crystallographic Communications (2018) E74 (1513-1516) DOI: 10.1107/S2056989018013117)

13 Crystal structure and Hirshfeld surface analysis of 4-[4-(1-benzo[]imidazol-2-yl)phen-oxy]phthalo-nitrile dimethyl sulfoxide monosolvate.

14 Crystal structure and Hirshfeld surface analysis of 5-(3,5-di--butyl-4-hy-droxy-phen-yl)-3-phenyl-4,5-di-hydro-1-pyrazole-1-carboxamide.

15 Co-crystallization of a neutral molecule and its zwitterionic tautomer: structure and Hirshfeld surface analysis of 5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-2,3-dihydro-1H-pyrazol-3-one 5-methyl-4-(5-methyl-1H-pyrazol-2-ium-3-yl)-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-1-ide monohydrate

16 Structural characterization, quantum chemical calculations and Hirshfeld surface analysis of a new third order harmonic organic crystal: 2-Amino-4-methylpyridinium benzilate

17 Post-Hartree-Fock methods for Hirshfeld atom refinement: are they necessary? Investigation of a strongly hydrogen-bonded molecular crystal

18 Crystal structure and Hirshfeld surface analysis of 4-allyl-2-methoxy-6-nitrophenol

19 (μ2-adipato-κ4o,o′:o′′,o′′′)bis[aqua(benzene-1,2-diamine-κ2n,n′)chloridocadmium]: crystal structure and hirshfeld surface analysis

20 crystal structure, hydrogen bonding and hirshfeld surface analysis of 2-amino-4-methoxy-6-methylpyrimidinium 4-chlorobenzoate

21 Synthesis, structural elucidation, spectroscopic, Hirshfeld surface analysis and theoretical simulation of a new adeninium orthoperiodate (1−) bis(hydrate) organic–inorganic hybrid crystals

22 n′-[1-(5-bromo-2-hydroxyphenyl)ethylidene]isonicotinohydrazide monohydrate: crystal structure and hirshfeld surface analysis

23 crystal structure and hirshfeld surface analysis of 2-oxo-13-epi-manoyl oxide isolated from sideritis perfoliata

24 a new example of intramolecular c—h...ni anagostic interactions: synthesis, crystal structure and hirshfeld analysis of cis-bis[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamidato-κ2n1,s]nickel(ii) dimethylformamide monosolvate

25 crystal structure and hirshfeld surface analysis of aquabis(nicotinamide-κn)bis(4-sulfamoylbenzoato-κo1)copper(ii)

26 structural characterization and hirshfeld surface analysis of a coii complex with imidazo[1,2-a]pyridine

27 isoquinolinium 5-(2,4-dinitrophenyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate: crystal structure, hirshfeld surface analysis and pharmacological evaluation

28 crystal structure and hirshfeld surface analysis of 1-(2,4-dichlorobenzyl)-5-methyl-n-(thiophene-2-sulfonyl)-1h-pyrazole-3-carboxamide

29 crystal structure and hirshfeld surface analysis of 3,3′,3′′-[(1,3,5-triazine-2,4,6-triyl)tris(oxy)]tris(5,5-dimethylcyclohex-2-en-1-one)

30 crystal structure and hirshfeld surface analysis of a pyridiniminium bromide salt: 1-[2-(adamantan-1-yl)-2-oxoethyl]pyridin-4-iminium bromide

31 crystal structure and hirshfeld surface analysis of (e)-4-chloro-n-{2-[2-(4-nitrobenzylidene)hydrazin-1-yl]-2-oxoethyl}benzenesulfonamide n,n-dimethylformamide monosolvate

32 diethylenetriamine/diamines/copper (ii) complexes [cu(dien)(nn)]br2: synthesis, solvatochromism, thermal, electrochemistry, single crystal, hirshfeld surface analysis and antibacterial activity

33 Synthesis, crystal structure and Hirshfeld surface analysis of 1,7-dimethyl-5a,6,11a,12-tetrahydrobenzo[ b ]benzo[5,6][1,4]oxazino[2,3- e ][1,4]oxazine

34 Crystal structures and Hirshfeld surface analyses of ()-1-[1-(4--butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-phenyl-diazene, ()-1-[1-(4--butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(4-methyl-phen-yl)diazene, ()-1-[1-(4--butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(4-meth-oxy-phen-yl)diazene and ()-1-[1-(4--butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(3-methyl-phen-yl)diazene.

35 Synthesis, crystal structure and Hirshfeld surface analysis of -butyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.

36 Crystal structures and Hirshfeld surface analyses of ,-di-methyl-acetamide-1-(dimethyl-λ-aza-nyl-idene)ethan-1-ol tribromide (1/1), ,-di-methyl-acetamide-1-(dimethyl-λ-aza-nyl-idene)ethan-1-ol di-bromido-iodate (1/1) and ,-di-methyl-acetamide-1-(dimethyl-λ-aza-nyl-idene)ethan-1-ol di-chlorido-iodate (1/1).