Results 81 to 90 of about 1,195,244 (259)

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 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

Doping of Graphene Nanoribbons via Functional Group Edge Modification

, 2017
We report on the on-surface synthesis of 7 armchair graphene nanoribbons (7-AGNRs) substituted with nitrile (CN) functional groups. The CN groups are attached to the GNR backbone by modifying the 7-AGNR precursor.
Abadia, Mikel, Barragán, Ana, Brandimarte, Pedro, Carbonell-Sanromà, Eduard, Corso, Martina, Hieulle, Jeremy, Iraola, Mikel, Li, Jingcheng, Pascual, Jose Ignacio, Peña, Diego, Sánchez-Portal, Daniel, Vilas-Varela, Manuel   +11 more
core   +1 more source

Synthesis of dimeric 1,2-benzothiazine 1,1-dioxide scaffolds: molecular structures, Hirshfeld surface analysis, DFT and enzyme inhibition studies

RSC Advances
1,2-Benzothiazines are bioactive compounds with diverse pharmacological properties. We report here the synthesis of a series of dimers containing 1,2-benzothiazine scaffolds as potential pharmacophores.
Muqudis Fatima, W. Siddiqui, M. I. Choudhary, Adnan Ashraf, Shanawer Niaz, Muhammad Asam Raza, S. M. Alam, Muhammad Ashfaq, Muhammad Nawaz Tahir, Kholood A. Dahlous   +9 more
semanticscholar   +1 more source

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

Utilizing Proteolytic‐Resistant Nano‐Short Peptide Based on Naphthyl Tail‐Anchored to Combat Bacterial Infections

Advanced Science, EarlyView.
Antimicrobial peptides (AMPs) show potential as alternatives to antibiotics for bacterial infections; however, their susceptibility to proteases limits wider application. In this study, N4 nanofibers are constructed by integrating anti‐enzymolysis motif into the self‐assembly system triggered by naphthyl‐anchored.
Xi Yan, Yinfeng Lyu, Yi Liu, Jianping Ren, Yue Zhao, Licong Zhang, Anshan Shan   +6 more
wiley   +1 more source

Ionic Covalent Organic Framework Membranes for Rapid Moisture‐Driven Actuation and Sensing

Angewandte Chemie, EarlyView.
This study introduces an ionic covalent organic framework membrane that responds to humidity within1 s, enabling reversible bending, sensing, and switching behaviors. The integration of guanidinium linkers enhances water affinity and structural adaptability. With high mechanical resilience and environmental responsiveness, the membrane offers promising
Xin Liu, Weibin Lin, Jinrong Wang, Fang Fang, Pei Yu, Niveen M. Khashab   +5 more
wiley   +2 more sources

Abrupt and Reversible Stretching in an Azobenzene Single Crystal via Thermal Phase Transition

Advanced Science, EarlyView.
Crystals of azobenzene compounds exhibit abrupt and reversible stretching and shrinking in response to thermal and photo stimulation. The single‐crystal‐to‐single‐crystal phase transition between two polymorphs involving reorientation of CH–π hydrogen interactions are demonstrated. Furthermore, the abrupt photoinduced stretching of the crystals is used
Minghao Gao, Dennis Kwaria, Emi Uchida, Hiroyuki Minamikawa, Rie Haruki, Reiji Kumai, Youfeng Yue, Yasuo Norikane   +7 more
wiley   +1 more source

Crystal structure and Hirshfeld surface analysis of (C7H9N4O2)[ZnCl3(H2O)]

Acta Crystallographica Section E: Crystallographic Communications, 2020
In the title molecular salt, 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium aquatrichloridozincate(II), (C7H9N4O2)[ZnCl3(H2O)], the fused ring system of the cation is close to planar, with the largest deviation from the mean plane being 0.037 ...
Hicham El Hamdani, Mohamed El Amane, Mohamed Saadi, Lahcen El Ammari   +3 more
doaj   +1 more source

Crystal structure and Hirshfeld surface analysis of (E)-1-[2,2-dibromo-1-(4-nitrophenyl)ethenyl]-2-(4-fluorophenyl)diazene

Acta Crystallographica Section E: Crystallographic Communications, 2022
In the title compound, C14H8Br2FN3O2, the 4-fluorophenyl ring and the nitro-substituted phenyl ring form a dihedral angle of 64.37 (10)°. Molecules in the crystal are connected by C—H...O and C—H...F hydrogen bonds into layers parallel to (011).
Zeliha Atioğlu, Mehmet Akkurt, Namiq Q. Shikhaliyev, Naila A. Mammadova, Gulnara V. Babayeva, Victor N. Khrustalev, Ajaya Bhattarai   +6 more
doaj   +1 more source