Results 101 to 110 of about 1,206,495 (293)

The effect of chalcogen substitution on the structure and spectroscopy of 4,7-dimethyl-2: H -chromen-2-one/thione analogues [PDF]

, 2017
4,7-Dimethyl-2H-chromen-2-one (1) and its novel sulfur analogue 4,7-dimethyl-2H-chromen-2-thione (2) were synthesized and fully characterized by spectroscopic methods and mass spectrometry. The crystal structure of compound 2 has been determined by X-ray
Delgado Espinosa, Zuly Yuliana, Echeverría, Gustavo Alberto, Erben, Mauricio Federico, Mahmood, Shamsul, Piro, Oscar Enrique, Saeed, Aamer   +5 more
core   +2 more sources

Synthesis, X-ray Crystal Structure, Anticancer, Hirshfeld Surface Analysis, DFT, TD-DFT, ADMET, and Molecular Docking of 3-Phenyl-1,2,4-triazolo[3,4-h]-13,4-thiaza-11-crown-4

Molecules, 2023
In this work, we describe the synthesis of new macrocycles derived from 3-phenyl-1,2,4-triazole-5-thione 1 in a heterogeneous medium using liquid–solid phase transfer catalysis (PTC) conditions. The structures of the two compounds (3 and 4) isolated were
F. Lazrak, S. Lahmidi, E. Anouar, Mohamed M Alanazi, Ashwag S. Alanazi, E. Essassi, J. Mague   +6 more
semanticscholar   +1 more source

Structural, Spectroscopic and Hirshfeld Surface Analysis of Anilinium Malonate

Asian Journal of Chemistry, 2019
The comprehensive elucidation of the crystal structure, vibrational and Hirshfeld surface analysis of new crystalline product anilinium malonate C6H5NH3 +. C3H3O4 – are presented in this communication. Single crystals of anilinium malonate have been grown by the method of slow evaporation at room temperature.
F. Mary Anjalin, N. Kanagathara, M.K. Marchewka, T. Srinivasan   +3 more
openaire   +1 more source

Achieving Photo‐Activated Circularly Polarized Room Temperature Phosphorescence from Natural Biopolymers

Advanced Science, EarlyView.
This bio‐based chiral luminescent system exhibit photo‐activated CPRTP by anchoring arylboronic acids to hydroxypropyl cellulose (HPC) matrix. Notably, by controlling the drying kinetics, dynamic switchable CPRTP with opposite handedness can be obtained due to a balance of photonic bandgap (PBG) effect and chirality transfer effect induced by the HPC ...
Shaoyi Cao, Mingcong Xu, Bang An, Baoqi Li, Wenye Sun, Wenbo Cui, Rui Teng, Chunhui Ma, Sha Luo, Bing Tian, Zhijun Chen, Shouxin Liu, Wei Li   +12 more
wiley   +1 more source

Crystal structure, DFT study and Hirshfeld surface analysis of ethyl 6-chloro-2-ethoxyquinoline-4-carboxylate

Acta Crystallographica Section E: Crystallographic Communications, 2019
In the title quinoline derivative, C14H14ClNO3, there is an intramolecular C—H...O hydrogen bond forming an S(6) graph-set motif. The molecule is essentially planar with the mean plane of the ethyl acetate group making a dihedral angle of 5.02 (3)° with ...
Younos Bouzian, Khalid Karrouchi, El Hassane Anouar, Rachid Bouhfid, Suhana Arshad, El Mokhtar Essassi   +5 more
doaj   +1 more source

Crystal structure and Hirshfeld surface analysis of (E)-N-(4-propyloxybenzylidene)benzo[d]thiazol-2-amine

Acta Crystallographica Section E: Crystallographic Communications, 2020
The title compound, C17H16N2OS, was synthesized by a condensation reaction between 2-amino benzothiazole and 4-N-propoxybenzaldehyde. The benzo[d]thiazole ring system is nearly planar (r.m.s.
Ropak A. Sheakh Mohamad, Wali M. Hamad, Hashim J. Aziz, Necmi Dege   +3 more
doaj   +1 more source

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

Acta Crystallogr E Crystallogr Commun
The title compound, C8H11PS, which melts below room temperature, was crystallized at low temperature. The P—S bond length is 1.9623 (5) Å and the major contributors to the Hirshfeld surface are H...H (58.1%), S...H/H...S (13.4%) and C...H/H...C contacts (11.7%).
Risken R, Kuzu YM, Schmidt A, Strohmann C.   +3 more
europepmc   +4 more sources

Crystal Structure, DFT Calculation, and Hirshfeld Surface Analysis of the 1-(Cyclohex-1-en-1-yl)-3-(prop-2-yn-1-yl)-1,3-dihydro-2H-benzimidazol-2-one

Crystals, 2023
In this paper, we describe the synthesis and structural characterization of the 1-(cyclohex-1-en-1-yl)-3-(prop-2-yn-1-yl)-1,3-dihydro-2H-benzimidazol-2-one (2) via IR, NMR (1H and 13C), and HRMS.
M. Adardour, Marouane Ait Lahcen, Ismail Hdoufane, Mohamed M Alanazi, Mohamed Loughzail, H. Mousser, S. Fleutot, Michel François, D. Cherqaoui, A. Baouid   +9 more
semanticscholar   +1 more source

Halogen‐Bond Coupled Halogenated‐π‐Conjugation Enables Giant Birefringence in Hydrogen‐Bonded Organic Frameworks

Advanced Science, EarlyView.
The perfect crystal packing achieved via the halogen‐bond (XB) coupled halogenated‐π‐conjugation strategy effectively induces an ultrahigh birefringence (Δn = 0.97), which exhibits promising potential in polarization control and phase modulation.
Miao‐Bin Xu, Yun‐Xia Hu, Ming‐Chang Wang, Jia‐Jia Li, Jia‐Min Lian, Jin Chen, Ke‐Zhao Du   +6 more
wiley   +1 more source

Crystal structure and Hirshfeld surface analysis of 6-amino-8-phenyl-1,3,4,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarbonitrile

Acta Crystallographica Section E: Crystallographic Communications, 2021
In the title compound, C16H15N5, the 1,4-dihydropyridine ring has a shallow boat conformation, while the 1,3-diazinane ring adopts an envelope conformation. In the crystal, pairwise N—H...N hydrogen bonds generate centrosymmetric dimers featuring R22(12)
Farid N. Naghiyev, Tatiana A. Tereshina, Victor N. Khrustalev, Mehmet Akkurt, Ali N. Khalilov, Anzurat A. Akobirshoeva, İbrahim G. Mamedov   +6 more
doaj   +1 more source