Results 1 to 10 of about 57,654 (217)

1-Methyl-4-phenyl-1H-pyrazolo[3,4-d]pyrimidine

IUCrData, 2017
In the crystal, molecules of the title compound, C12H10N4, stack in a head-to-tail manner along the b direction through π–π stacking interactions between both portions of the pyrazolopyrimidine ring system.
Mohamed El Hafi, Mohammed Boulhaoua, Abdelhanine Essaghouani, Youssef Ramli, El Mokhtar Essassi, Joel T. Mague   +5 more
doaj   +1 more source

4-(4-Bromophenyl)-2-(3-(4-chlorophenyl)-5-{3-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1-phenyl-1H-pyrazol-4-yl}-4,5-dihydro-1H-pyrazol-1-yl)thiazole

IUCrData, 2018
In the title compound, C37H28BrClN8O, the linked chlorophenyl, pyrazolyl and thiazolyl ringss are almost coplanar, with dihedral angles of 0.6 (3)° between the chlorophenyl and pyrazolyl rings and 5.4 (3)° between the pyrazolyl and thiazolyl rings.
Gamal A. El-Hiti, Hanan A. Mohamed, Bakr F. Abdel-Wahab, Mohammad Hayal Alotaibi, Amany S. Hegazy, Benson M. Kariuki   +5 more
doaj   +1 more source

Crystal structure of the borabenzene–2,6-lutidine adduct

Acta Crystallographica Section E: Crystallographic Communications, 2015
In the title compound, C12H14BN, the complete molecule is generated by a crystallographic twofold axis, with two C atoms, the B atom and the N atom lying on the rotation axis.
Lauri Kivijärvi, Matti Haukka
doaj   +1 more source

4-(Benzo[d]thiazol-2-yl)-N,N-dimethylaniline

IUCrData, 2016
The whole molecule of the title compound, C15H14N2S, is approximately planar, with an r.m.s. deviation of 0.0382 Å from the best-fit mean plane through all 18 non-H atoms.
Yi-Wen Tang, Jing-Hang Wang, Qing-Yuan Xie, Quan Wang, Jie-Ying Wu   +4 more
doaj   +1 more source

The Balance Effect of π–π Electronic Coupling on NIR‐II Emission and Photodynamic Properties of Highly Hydrophobic Conjugated Photosensitizers

Advanced Science
Deep NIR organic phototheranostic molecules generally have large π‐conjugation structures and show highly hydrophobic properties, thus, forming strong π–π stacking in the aqueous medium, which will affect the phototheranostic performance.
Yulin Zhu, Hanjian Lai, Ying Gu, Zixiang Wei, Lin Chen, Xue Lai, Liang Han, Pu Tan, Mingrui Pu, Fan Xiao, Feng He, Leilei Tian   +11 more
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1-[({5-[(4-Methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1H-benzo[d][1,2,3]triazole

IUCrData, 2016
The title molecule, C23H20N6OS, adopts a cup-shaped conformation with the planes of the two benzene rings and the benzotriazole unit close to being parallel. The crystal packing features C—H...π(ring) and offset π–π stacking interactions.
Shaaban K. Mohamed, Elham A. Al-Taifi, Mehmet Akkurt, Joel T. Mague, Etify M. Bakhite   +4 more
doaj   +1 more source

(3Z)-3-Benzylidene-1H-benzimidazo[1,2-a]imidazol-2(3H)-one

IUCrData, 2016
In the title compound, C16H11N3O, the molecular conformation is partially determined by an intramolecular C—H...π(ring) interaction. In the crystal, pairwise N—H...N hydrogen bonds form dimers, which associate into stacks through a combination of C—H...O,
Mohammed Rida, Youness El Bakri, El Mokhtar Essassi, Joel T. Mague   +3 more
doaj   +1 more source

Comparative Analysis of the Substituent Effects on the Supramolecular Structure of N′-(4-Methyl-2-nitrophenyl)benzohydrazide and N′-(2-Nitro-(4-trifluoromethyl)phenyl)benzohydrazide)

Crystals
N′-Phenylbenzohydrazides are valuable precursors for air- and moisture-stable Blatter radicals, with applications in magnetism and spintronics. This study presents the single-crystal X-ray structures of N′-(4-methyl-2-nitrophenyl)benzohydrazide (I) and N′
Christos P. Constantinides, Syed Raza, Fadwat Bazzi, Nisreen Sharara, Simona Marincean   +4 more
doaj   +1 more source

2-Oxo-2H-chromen-4-yl 4-ethylbenzoate

IUCrData
In the title compound, C18H14O4, the dihedral angle between the coumarin moiety and the phenyl fragment is 63.46 (5)°. In the crystal, the molecules are linked by weak C—H...O hydrogen bonds and aromatic π–π stacking interactions. A short C=O...π [O...π =
Valentin Bationo, Abel Landry Tebily, Akoun Abou, Charles Bavouma Sombié, Rasmané Semdé, Abdoulaye Djandé   +5 more
doaj   +1 more source

Role of molecular packing in RTP features of positional isomers: The case study of triimidazo-triazine functionalized with ethynyl pyridine moieties

Next Materials
Organic materials characterized by multi-component emissive behavior including RTP features are extremely desirable for various applications. Frequently, long lasting emissions of solids are originated from intermolecular interactions whose role is far ...
Daniele Malpicci, Stefano Di Ciolo, Elena Cariati, Elena Lucenti, Daniele Marinotto, Daniele Maver, Clelia Giannini, Lucia Carlucci, Chiara Botta, Alessandra Forni   +9 more
doaj   +1 more source