Facile synthesis of aminoalkyl naphthols and single crystal X-ray, computational studies on 1-[morpholino(thiophen-2-yl)methyl]naphthalen-2-ol

2021 ◽  
pp. 130861
Author(s):  
C.P. Surya ◽  
G. Harichandran ◽  
S. Muthu
Keyword(s):  
Single Crystal ◽  
Computational Studies ◽  
Facile Synthesis ◽  
X Ray

Substituent and Solvent Effects on Intermolecular Interactions in Crystals of N-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies

2014 ◽  
Vol 14 (5) ◽  
pp. 2263-2281 ◽  
Author(s):  
Liliana Mazur ◽  
Katarzyna N. Jarzembska ◽  
Radosław Kamiński ◽  
Krzysztof Woźniak ◽  
Edyta Pindelska ◽  
...  
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Intermolecular Interactions ◽  
Solvent Effects ◽  
Solid State Nmr ◽  
Computational Studies ◽  
X Ray

Finding a soft spot for vanadium: a P-bound OCP ligand

2019 ◽  
Vol 55 (42) ◽  
pp. 5966-5969 ◽  
Author(s):  
Lauren N. Grant ◽  
J. Krzystek ◽  
Balazs Pinter ◽  
Joshua Telser ◽  
Hansjörg Grützmacher ◽  
...  
Keyword(s):  
Transition Metal ◽  
Single Crystal ◽  
Computational Studies ◽  
Squid Magnetometry ◽  
X Ray Diffraction ◽  
Detailed Characterization ◽  
X Ray ◽  
Soft Spot

The first example of a P-bound phosphaethynolato ligand, [OCP]−, to an early 3d transition metal is presented, along with detailed characterization by single crystal X-ray diffraction, SQuID magnetometry, HFEPR spectroscopy, and computational studies.

Facile Synthesis of Pentamethylcyclopentadienyl Ruthenium Half-Sandwich Complexes by Naphthalene Displacement

2018 ◽  
Vol 71 (4) ◽  
pp. 289 ◽  
Author(s):  
Jeremy Stone ◽  
David Jago ◽  
Alexandre Sobolev ◽  
Mark Spackman ◽  
George Koutsantonis
Keyword(s):  
Single Crystal ◽  
Organometallic Chemistry ◽  
Synthetic Methods ◽  
Sandwich Complexes ◽  
Facile Synthesis ◽  
X Ray ◽  
Wide Range ◽  
Structure Determinations ◽  
Half Sandwich

Ruthenium half-sandwich complexes are central in a wide range of diverse applications in the field of organometallic chemistry. As such, exploration of their preparation and reactivity is crucial for development of their chemistry. Herein, we present alternative synthetic methods for the preparation of Cp*Ru(dppm)Cl, Cp*Ru(dppe)Cl, Cp*Ru(dppf)Cl, [Cp*Ru(COD)(MeCN)]BF4, and [Cp*Ru(bpy)(MeCN)]BF4 (dppm = 1,2-bis(diphenylphosphino)methane; dppe = 1,2-bis(diphenylphosphino) ethane; dppf = 1,2-bis(diphenylphosphino)ferrocene; COD = 1,5-cyclooctadiene; bpy= 2,2′-bipyridine), starting from the easily accessible [Cp*Ru(η6-C10H8)]BF4. The single-crystal X-ray structure determinations for [Cp*Ru(COD)(MeCN)]BF4, and [Cp*Ru(bpy)(MeCN)]BF4 are also presented.

Facile synthesis of model 2,4-diaryl-1,3,4-thiadiazino[5,6-h]fluoroquinolones

2019 ◽  
Vol 74 (6) ◽  
pp. 507-512
Author(s):  
Mohammed M. Abadleh ◽  
Tawfiq Arafat ◽  
Luay Abu-Qatouseh ◽  
Mustafa M. El-Abadelah ◽  
Firas F. Awwadi ◽  
...  
Keyword(s):  
Single Crystal ◽  
Spectral Data ◽  
Carboxylic Acids ◽  
Facile Synthesis ◽  
X Ray ◽  
X Ray Crystallography

AbstractA Selected set of 2,4-diaryl-7-oxo-1,2,4-thiadiazino[5,6-h]quinoline-8-carboxylic acids 6a–e has been prepared via reaction of the parent 7-chloro-8-nitro-10-cyclopropyl-6-fluoroquinolone 4 with the appropriate N′-(aryl)benzothiohydrazide 5a–e in presence of triethylamine. Structures of the new heterocyclics 6a–e are supported by spectral data and confirmed by single-crystal X-ray crystallography for 6a.

Alkyl Spacer Length and Protonation Induced Changes in Crystalline Psychoactive Arylpiperazine Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies

2016 ◽  
Vol 16 (11) ◽  
pp. 6371-6380 ◽  
Author(s):  
Edyta Pindelska ◽  
Izabela D. Madura ◽  
Łukasz Szeleszczuk ◽  
Anna Żeszko ◽  
Jolanta Jaśkowska ◽  
...  
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Solid State Nmr ◽  
Computational Studies ◽  
Spacer Length ◽  
X Ray ◽  
Induced Changes

Electrochemical Properties and Regioselectivity of Cyclopalladation of Chiral Ferrocenylimines Deriving from (S)-Ferrocenylethylamine

2013 ◽  
Vol 66 (2) ◽  
pp. 218 ◽  
Author(s):  
Zhigang Yin ◽  
Hengyu Qian ◽  
Quanling Wang ◽  
Huichao Dong ◽  
Shihai Yan ◽  
...  
Keyword(s):  
Single Crystal ◽  
Electrochemical Properties ◽  
Phenyl Ring ◽  
Experimental Results ◽  
Computational Studies ◽  
X Ray ◽  
A Minor ◽  
Good Agreement

Treatment of a cyclopalladated complex derived from chiral ferrocenylimine (η5-C5H5)Fe(η5-C5H4)–CH(CH3)–N=CH–2-C4H3S, (Sc)-1, with PPh3 produced the heteroannular palladacycle (Sc)-3 in which palladation occurred at the unsubstituted cyclopentadiene ring. While for (η5-C5H5)Fe(η5-C5H4)–CH(CH3)–N=CH–C6H5, (Sc)-4, cyclopalladation took place mainly at the phenyl ring; the heteroannular palladacycle (Sc)-6, as a minor product, was also obtained. Single crystal X-ray analysis, electrochemical, and computational studies have been performed, showing good agreement with experimental results.

Facile Synthesis of 6-Aryl-1,3-dimethyl-5H-pyrimido[4,5-b][1,4]diazepine-2,4(1H,3H)-diones

1999 ◽  
Vol 64 (2) ◽  
pp. 313-320 ◽  
Author(s):  
Shahriyar Taghavi-Moghadam ◽  
Rüdiger Stumpf ◽  
Helmut Fischer ◽  
Wolfgang Pfleiderer
Keyword(s):  
Single Crystal ◽  
Diffraction Analysis ◽  
Methyl Acetate ◽  
X Ray Diffraction ◽  
Facile Synthesis ◽  
X Ray

A facile procedure for the preparation of 6-aryl-1,3-dimethyl-5H-pyrimido[4,5-b][1,4]diazepine2,4(1H,3H)-diones 8, 9 from 6-amino-5-arylideneamino-1,3-dimethyluracils 1, 2 and triethyl orthoacetate (3) in a two-step reaction via 6-aryl-8-ethoxy-6,7-dihydro-1,3-dimethyl-5H-pyrimido[4,5-b][1,4]diazepine-2,4(1H,3H)-diones 6, 7 is described. Condensation of 1 with diethoxymethyl acetate (10) resulted in the formation of (1,3-dimethyl-2,6-(1H,3H)-dioxopurin-7-yl)(phenyl)methyl acetate (11) and a small amount of 1,3-dimethyl-6-phenylpyrazino[2,3-d]pyrimidine-2,4(1H,3H)-dione (12). The structures of 6 and 11 were unambiguously confirmed by single-crystal X-ray diffraction analysis.

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