Experimental and computational evidence for stabilising parallel, offset π[C(=O)N(H)N=C]⋯π(phenyl) interactions in acetohydrazide derivatives

QR Code

Experimental and computational evidence for stabilising parallel, offset π[C(=O)N(H)N=C]⋯π(phenyl) interactions in acetohydrazide derivatives

Parallel, off-set π[C(=O)N(H)N=C] …π(phenyl) interactions are observed in the crystal of (2-thienyl)CH2CON(H)-N=C(H)Ph, along with more conventional non-covalent interactions. All notable interactions have been analysed by the calculated Hirshfeld surfaces, NCI plots and QTAIM analysis. The π[C(=O...

Full description

Bibliographic Details
Main Authors:	Tan, Sang Loon , Cardoso, Laura N. F., Souza, Marcus V. N. de, Wardell, Solange M. S. V., Wardell, James L., Tiekink, Edward R. T.
Format:	Article
Language:	English
Published:	Royal Society of Chemistry 2022
Subjects:	QD Chemistry
Online Access:	http://eprints.sunway.edu.my/1956/ http://eprints.sunway.edu.my/1956/1/Tiekink%20crystengcomm%202022%2024%20962_acc.pdf

Similar Items

Experimental and computational evidence for a stabilising C–Cl(lone-pair)⋯π(chelate-ring) interaction
by: Tan, Sang Loon *, et al.
Published: (2021)

The significance of C-H∙∙∙π(metalloaromatic) interactions in stabilising crystal structures
by: Tan, Yee Seng *
Published: (2016)

The new material battery based on Mg/C-π
by: Siburian, Rikson, et al.
Published: (2021)

Interaction of the NO 3pπ (C 2Π) Rydberg state with RG (RG = Ne, Kr, and Xe): potential energy surfaces and spectroscopy
by: Ershova, Olga V., et al.
Published: (2015)

An analysis of chloride…π(chelate ring) interactions
by: Tiekink, Edward R. T. *
Published: (2019)

N-Heterocyclic carbenes as π*-acceptors in luminescent Re(I) triscarbonyl complexes
by: Casson, L., et al.
Published: (2011)

Supramolecular architectures sustained by delocalised C–I···π(arene) interactions in molecular crystals and the propensity of their formation†
by: Tiekink, Edward R. T. *
Published: (2020)

Sulphur(lone pair)…π interactions with FAD in flavoenzymes
by: Silva, Rui F. N., et al.
Published: (2018)

Copper(i) complexes: intramolecular and intermolecular arene-c– h···π(quasi-chelate ring) interactions
by: Yeo, Chien Ing *, et al.
Published: (2017)

A bibliographic survey of the supramolecular architectures sustained by delocalised C–I⋯π(arene) interactions in metal-organic crystals.
by: Tiekink, Edward R. T. *
Published: (2022)

Anion-π Interactions of Hexaaryl[3]radialenes
by: Evans, J., et al.
Published: (2012)

Π -Normality In Topological Spaces And Its Generalization
by: Thabit, Sadeq Ali Saad
Published: (2013)

N′-[(1E)-(5-Nitrofuran-2-yl)methylidene]thiophene-2-carbohydrazide: crystal structure and Hirshfeld surface analysis
by: Cardoso, Laura N. F., et al.
Published: (2016)

Crystal structure of N-methyl-N-phenyl(methylsulfanyl)carbothioamide, C9H11NS2
by: Lo, Kong Mun *, et al.
Published: (2019)

A conformational polymorph of Ph3PAu[SC(OEt)=NPh] featuring an intramolecular Au···π interaction
by: Yeo, Chien Ing *, et al.
Published: (2016)

The remarkable propensity for the formation of C–H⋯π(chelate ring) interactions in the crystals of the first-row transition metal dithiocarbamates and the supramolecular architectures they sustain.
by: Tiekink, Edward R. T. *
Published: (2020)

Crystal structure of the co-crystal N,N′-bis(3-pyridylmethyl)oxalamide acetic acid (1/2), C14H14N4O2⋅2C2H4O2
by: Tan, Sang Loon *, et al.
Published: (2019)

Co-localised Raman and force spectroscopy reveal the roles of hydrogen bonds and π-π interactions in defining the mechanical properties of diphenylalanine nano- and micro-tubes
by: Sinjab, Faris, et al.
Published: (2014)

Crystal structure of 3-[methyl(phenyl)amino]-1-phenylthiourea, C14H15N3S
by: Yeo, Chien Ing *, et al.
Published: (2019)

Solute–solvent interactions mediated by main group element(lone-pair)···π(aryl) interactions
by: Tiekink, Edward R. T. *, et al.
Published: (2017)

Crystal structure of the co-crystal N,N′-bis(4-pyridylmethyl)oxalamide and 2,3,5,6-tetrafluoro-1,4-di-iodobenzene (1/1), C14H14N4O2⋅C6F4I2
by: Tan, Sang Loon *, et al.
Published: (2019)

New π-electron deficient molecular materials and their photo/redox properties
by: Malagreca, Ferdinando
Published: (2024)

Novel cation-π interaction revealed by crystal structure of thermoalkalophilic lipase
by: Matsumura, Hiroyoshi, et al.
Published: (2008)

Crystal structure of the 1:2 co-crystal between N,N′-bis(4-pyridylmethyl)oxalamide and acetic acid as a dihydrate, C14H14N4O2⋅2 C2H4O2⋅2 H2O
by: Tan, Sang Loon *, et al.
Published: (2019)

Crystal structure of the (E)-O-methyl-N-phenyl-thiocarbamate – 4,4′-bipyridine (1/1), C18H17N3OS
by: Yeo, Chien Ing *, et al.
Published: (2018)

Crystal structure of carbonyl{hydridotris[3-phenyl-5-methylpyrazol-1-yl]borato-κ3N,N′N′′}copper(I), C31H28BCuN6O
by: Fujisawa, Kiyoshi, et al.
Published: (2020)

1-[N-Methyl-N-(Phenyl)amino]-3- (4-Methylphenyl)Thiourea
by: Yeo, Chien Ing *, et al.
Published: (2019)

Crystal structure of the co-crystal 4-[(4-carboxyphenyl)disulfanyl]benzoic acid–(1E,4E)-1-N,4-N-bis(pyridin-4-ylmethylidene)cyclohexane-1,4-diamine (1/1), C14H10O4S2⋅C18H20N4
by: Tan, Sang Loon *, et al.
Published: (2019)

Phosphanegold(I) thiolates: Intramolecular Au··O vs Au..π interactions
by: Yeo, Chien Ing *
Published: (2016)

Crystal structure of N-ethyl-4-[3-(trifluoromethyl)-phenyl]piperazine-1-carbothioamide, C14H18F3N3S
by: Al-Wahaibi, Lamya H., et al.
Published: (2023)

Probing the use of long lived intra-ligand π-π * excited states for photocatalytic systems: a study of the photophysics and photochemistry of [ReCl(CO)3(dppz-(CH3)2)]
by: Summers, Peter A., et al.
Published: (2017)

The effect of π-extended indoleninyl-dibenzotetraaza[14]annulenes on their third-order nonlinear optical properties
by: Ramle, Abdul Qaiyum, et al.
Published: (2024)

Crystal structure of hemikis(cyclohexane-1,4-diammonium) (pyridine-2-carboxylate), [C6H16N2]0.5[C6H4NO2]
by: Tan, Sang Loon *, et al.
Published: (2019)

Crystal structure of 1-(4-chlorophenyl)-3-[methyl(phenyl)amino]thiourea, C14H14ClN3S
by: Yeo, Chien Ing *, et al.
Published: (2019)

N′-(1,3-Benzothiazol-2-yl)benzenesulfonohydrazide: crystal structure, Hirshfeld surface analysis and computational chemistry
by: Baddeley, T. C., et al.
Published: (2019)

Main group metal lone-pair⋯π(arene) interactions: a new bonding mode for supramolecular associations
by: Caracelli, Ignez, et al.
Published: (2016)

Binuclear phosphanegold(I) thiocarbamates: The importance of Au···π(aryl) interactions and their antimicrobial activity
by: Yeo, Chien Ing *
Published: (2016)

A modified π rough k-means algorithm for web page recommendation system
by: Zidane, Khaled Ali Othman
Published: (2018)

Persistence of C–H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2 as precursors for palladium sulphide materials
by: Tan, Yee Seng *, et al.
Published: (2016)

Crystal structure of N-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]-piperazine1-carbothioamide, C18H17BrF3N3S
by: Al-Sanea, Mohammad M., et al.
Published: (2023)