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Utilizing Hirshfeld surface calculations, non-covalent interaction (NCI) plots and the calculation of interaction energies in the analysis of molecular packing

Acta crystallographica. Section E, Crystallographic communications, 2019-03, Vol.75 (3), p.308-318

2019

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2-[(2,4,6-Tri-methyl-benzene)-sulfon-yl]phthalazin-1(2 H )-one: crystal structure, Hirshfeld surface analysis and computational study

Acta crystallographica. Section E, Crystallographic communications, 2020-05, Vol.76 (Pt 5), p.697-702

2020

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Bis[2-(4,5-diphenyl-1 H -imidazol-2-yl)-4-nitrophenolato]copper(II) dihydrate: crystal structure and Hirshfeld surface analysis

Acta crystallographica. Section E, Crystallographic communications, 2019-11, Vol.75 (Pt 11), p.1664-1671

2019

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1-Chloro-4-[2-(4-chloro-phen-yl)eth-yl]benzene and its bromo analogue: crystal structure, Hirshfeld surface analysis and computational chemistry

Acta crystallographica. Section E, Crystallographic communications, 2019-05, Vol.75 (Pt 5), p.624-631

2019

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( E )-{[(Butyl-sulfan-yl)methane-thio-yl]amino}(4-meth-oxy-benzyl-idene)amine: crystal structure and Hirshfeld surface analysis

Acta crystallographica. Section E, Crystallographic communications, 2020-02, Vol.76 (Pt 2), p.208-213

2020

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2-{(1 E )-[( E )-2-(2,6-Di-chloro-benzyl-idene)hydrazin-1-yl-idene]meth-yl}phenol: crystal structure, Hirshfeld surface analysis and computational study

Acta crystallographica. Section E, Crystallographic communications, 2019-10, Vol.75 (Pt 10), p.1423-1428

2019

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2-Methyl-4-(4-nitro-phen-yl)but-3-yn-2-ol: crystal structure, Hirshfeld surface analysis and computational chemistry study

Acta crystallographica. Section E, Crystallographic communications, 2019-08, Vol.75 (Pt 8), p.1232-1238

2019

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Bis[ S -benzyl 3-(furan-2-yl-methyl-idene)di-thio-carbazato-κ 2 N 3 , S ]copper(II): crystal structure and Hirshfeld surface analysis

Acta crystallographica. Section E, Crystallographic communications, 2019-06, Vol.75 (Pt 6), p.794-799

2019

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Ethyl 2-(4-benzyl-3-methyl-6-oxo-1,6-dihydropyridazin-1-yl)acetate: crystal structure and Hirshfeld surface analysis

Acta crystallographica. Section E, Crystallographic communications, 2019-03, Vol.75 (Pt 3), p.392-396

2019

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N-(6-Meth-oxy-pyridin-2-yl)-1-(pyridin-2-ylmeth-yl)-1H-pyrazole-3-carboxamide: crystal structure and Hirshfeld surface analysis

Acta crystallographica. Section E, Crystallographic communications, 2018-09, Vol.74 (Pt 9), p.1254-1258

2018

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New monoclinic form of { O -Ethyl N -(4-nitro-phen-yl)thio-carbamato-κ S }(tri-4-tolyl-phosphane-κ P )gold(I): crystal structure and Hirshfeld surface analysis

Acta crystallographica. Section E, Crystallographic communications, 2017-10, Vol.73 (Pt 10), p.1465-1471

2017

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[μ 2 -Bis(di-phenyl-phosphan-yl)hexa-ne]bis-[undeca-carbonyl- triangulo -triruthenium(3 Ru - Ru )] hexane monosolvate: crystal structure and Hirshfeld surface analysis

Acta crystallographica. Section E, Crystallographic communications, 2017-11, Vol.73 (Pt 11), p.1652-1657

2017

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Snap Frozen! Capturing Two Metastable Polymorphs in a Tetramorphic One-Dimensional Coordination Polymer Constructed from Cadmium, Dithiophosphate, and 4‑Pyridinealdazine

Crystal growth & design, 2020-05, Vol.20 (5), p.3272-3283

2020

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N '-[1-(5-Bromo-2-hy-droxy-phen-yl)ethyl-idene]isonicotinohydrazide monohydrate: crystal structure and Hirshfeld surface analysis

Acta crystallographica. Section E, Crystallographic communications, 2017-04, Vol.73 (Pt 4), p.630-636

2017

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Bis( N , N -di-ethyl-dithio-carbamato-κ 2 S , S ')(3-hy-droxy-pyridine-κ N )zinc and bis-[ N -(2-hy-droxy-eth-yl)- N -methyldithio-carbamato-κ 2 S , S '](3-hy-droxy-pyridine-κ N )zinc: crystal structures and Hirshfeld surface analysis

Acta crystallographica. Section E, Crystallographic communications, 2016-12, Vol.72 (Pt 12), p.1700-1709

2016

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Bis(μ2-N-methyl-N-phenyl-dithio-carbamato)-κ3S,S':S;κ3S:S,S'-bis-[(N-methyl-N-phenyl-dithio-carbamato-κ2S,S')cadmium]: crystal structure and Hirshfeld surface analysis

Acta crystallographica. Section E, Crystallographic communications, 2017-03, Vol.73 (Pt 3), p.429-433

2017

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(μ 2 -Adipato-κ 4 O , O ': O '', O ''')bis-[aqua-(benzene-1,2-di-amine-κ 2 N , N ')-chlorido-cadmium]: crystal structure and Hirshfeld surface analysis

Acta crystallographica. Section E, Crystallographic communications, 2017-09, Vol.73 (Pt 9), p.1363-1367

2017

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μ3-Chlorido-μ2-chlorido-(μ3-pyrrolidine-1-carbo-dithio-ato-κ4S:S,S':S')tris-[(tri-ethyl-phosphane-κP)copper(I)]: crystal structure and Hirshfeld surface analysis

Acta crystallographica. Section E, Crystallographic communications, 2017-05, Vol.73 (Pt 5), p.720-725

2017

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Bis[N-(2-hy-droxy-eth-yl)-N-iso-propyl-dithio-carbamato-κ(2) S,S'](piperazine-κN)cadmium: crystal structure and Hirshfeld surface analysis

Acta crystallographica. Section E, Crystallographic communications, 2016-02, Vol.72 (Pt 2), p.158-163

2016

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Zwitterionic 1-{(1 E )-[(4-hy-droxy-phen-yl)iminio]meth-yl}naphthalen-2-olate: crystal structure and Hirshfeld surface analysis

Acta crystallographica. Section E, Crystallographic communications, 2017-11, Vol.73 (Pt 11), p.1674-1678

2017

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Bis{4-methylbenzyl 2-[4-(propan-2-yl)benzyl-idene]hydrazine-carbodi-thio-ato-κ 2 N 2 , S }nickel(II): crystal structure and Hirshfeld surface analysis

Acta crystallographica. Section E, Crystallographic communications, 2017-03, Vol.73 (Pt 3), p.397-402

2017

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A monoclinic polymorph of 4-(2H-1,3-benzodioxol-5-yl)-1-(4-methyl-phen-yl)-1H-pyrazol-5-amine

Acta crystallographica. Section E, Crystallographic communications, 2015-10, Vol.71 (Pt 10), p.1121-1124

2015

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3,3-Bis(2-hydroxyethyl)-1-(4-nitrobenzoyl)thiourea: crystal structure, Hirshfeld surface analysis and computational study

Acta crystallographica. Section E, Crystallographic communications, 2020-02, Vol.76 (2), p.155-161

2020

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Crystal Structure Optimization and Semi-Empirical Quantum Chemical Calculations of Fused Bicyclic Heterocycles

Advanced Materials Research, 2015-02, Vol.1087, p.59-63

Jotani, Mukesh M.

2015

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7-Methyl-5-[(4-methyl-benzene)-sulfon-yl]-2H,5H-[1,3]dioxolo[4,5-f]indole: crystal structure and Hirshfeld analysis

Acta crystallographica. Section E, Crystallographic communications, 2018-02, Vol.74 (Pt 2), p.184-188

2018

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Utilizing Hirshfeld surface calculations, non-covalent interaction (NCI) plots and the calculation of interaction energies in the analysis of molecular packing

2-[(2,4,6-Tri-methyl-benzene)-sulfon-yl]phthalazin-1(2 H )-one: crystal structure, Hirshfeld surface analysis and computational study

Bis[2-(4,5-diphenyl-1 H -imidazol-2-yl)-4-nitrophenolato]copper(II) dihydrate: crystal structure and Hirshfeld surface analysis

1-Chloro-4-[2-(4-chloro-phen-yl)eth-yl]benzene and its bromo analogue: crystal structure, Hirshfeld surface analysis and computational chemistry

( E )-{[(Butyl-sulfan-yl)methane-thio-yl]amino}(4-meth-oxy-benzyl-idene)amine: crystal structure and Hirshfeld surface analysis

2-{(1 E )-[( E )-2-(2,6-Di-chloro-benzyl-idene)hydrazin-1-yl-idene]meth-yl}phenol: crystal structure, Hirshfeld surface analysis and computational study

2-Methyl-4-(4-nitro-phen-yl)but-3-yn-2-ol: crystal structure, Hirshfeld surface analysis and computational chemistry study

Bis[ S -benzyl 3-(furan-2-yl-methyl-idene)di-thio-carbazato-κ 2 N 3 , S ]copper(II): crystal structure and Hirshfeld surface analysis

Ethyl 2-(4-benzyl-3-methyl-6-oxo-1,6-dihydropyridazin-1-yl)acetate: crystal structure and Hirshfeld surface analysis

N-(6-Meth-oxy-pyridin-2-yl)-1-(pyridin-2-ylmeth-yl)-1H-pyrazole-3-carboxamide: crystal structure and Hirshfeld surface analysis

New monoclinic form of { O -Ethyl N -(4-nitro-phen-yl)thio-carbamato-κ S }(tri-4-tolyl-phosphane-κ P )gold(I): crystal structure and Hirshfeld surface analysis

[μ 2 -Bis(di-phenyl-phosphan-yl)hexa-ne]bis-[undeca-carbonyl- triangulo -triruthenium(3 Ru - Ru )] hexane monosolvate: crystal structure and Hirshfeld surface analysis

Snap Frozen! Capturing Two Metastable Polymorphs in a Tetramorphic One-Dimensional Coordination Polymer Constructed from Cadmium, Dithiophosphate, and 4‑Pyridinealdazine

N '-[1-(5-Bromo-2-hy-droxy-phen-yl)ethyl-idene]isonicotinohydrazide monohydrate: crystal structure and Hirshfeld surface analysis

Bis( N , N -di-ethyl-dithio-carbamato-κ 2 S , S ')(3-hy-droxy-pyridine-κ N )zinc and bis-[ N -(2-hy-droxy-eth-yl)- N -methyldithio-carbamato-κ 2 S , S '](3-hy-droxy-pyridine-κ N )zinc: crystal structures and Hirshfeld surface analysis

Bis(μ2-N-methyl-N-phenyl-dithio-carbamato)-κ3S,S':S;κ3S:S,S'-bis-[(N-methyl-N-phenyl-dithio-carbamato-κ2S,S')cadmium]: crystal structure and Hirshfeld surface analysis

(μ 2 -Adipato-κ 4 O , O ': O '', O ''')bis-[aqua-(benzene-1,2-di-amine-κ 2 N , N ')-chlorido-cadmium]: crystal structure and Hirshfeld surface analysis

μ3-Chlorido-μ2-chlorido-(μ3-pyrrolidine-1-carbo-dithio-ato-κ4S:S,S':S')tris-[(tri-ethyl-phosphane-κP)copper(I)]: crystal structure and Hirshfeld surface analysis

Bis[N-(2-hy-droxy-eth-yl)-N-iso-propyl-dithio-carbamato-κ(2) S,S'](piperazine-κN)cadmium: crystal structure and Hirshfeld surface analysis

Zwitterionic 1-{(1 E )-[(4-hy-droxy-phen-yl)iminio]meth-yl}naphthalen-2-olate: crystal structure and Hirshfeld surface analysis

Bis{4-methylbenzyl 2-[4-(propan-2-yl)benzyl-idene]hydrazine-carbodi-thio-ato-κ 2 N 2 , S }nickel(II): crystal structure and Hirshfeld surface analysis

A monoclinic polymorph of 4-(2H-1,3-benzodioxol-5-yl)-1-(4-methyl-phen-yl)-1H-pyrazol-5-amine

3,3-Bis(2-hydroxyethyl)-1-(4-nitrobenzoyl)thiourea: crystal structure, Hirshfeld surface analysis and computational study

Crystal Structure Optimization and Semi-Empirical Quantum Chemical Calculations of Fused Bicyclic Heterocycles

7-Methyl-5-[(4-methyl-benzene)-sulfon-yl]-2H,5H-[1,3]dioxolo[4,5-f]indole: crystal structure and Hirshfeld analysis

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