Zobrazeno 1 - 10
of 3 207
pro vyhledávání: '"π-stacking"'
Publikováno v:
Acta Crystallographica Section E: Crystallographic Communications, Vol 80, Iss 11, Pp 1125-1129 (2024)
The crystal structure of the title organic–inorganic hybrid salt, (C13H12N3)2[CdCl4], (I), has been reported with four molecules in the asymmetric unit in a monoclinic cell [Vassilyeva et al. (2021). RSC Advances, 11, 7713–7722]. While using two
Externí odkaz:
https://doaj.org/article/62e19baf51e948cda3cbc8a408517abd
Publikováno v:
Učënye Zapiski Kazanskogo Universiteta. Seriâ Estestvennye Nauki, Vol 166, Iss 3, Pp 373-386 (2024)
The molecular structures and crystal packings of three new BODIPY compounds with a bromine atom in the α-, β-, and γ-position were analyzed. The asymmetrization of the central conjugated fragment was demonstrated for the first time, with its expre
Externí odkaz:
https://doaj.org/article/88b73deb257d4478ae9f687fe99ccb85
Publikováno v:
Defence Technology, Vol 39, Iss , Pp 123-132 (2024)
The interfacial interaction between HMX molecules and coating materials is the key to the safety performance of explosives and has received extensive attention. However, screening suitable coating agents to enhance the interfacial effect to obtain hi
Externí odkaz:
https://doaj.org/article/fa8ba953bec64fceab491ea8e0ff587a
Autor:
Sri Hari Galla, Jayalakshmi Sridhar, Joel T. Mague, Xiaodong Zhang, Kira D. White, Qiang Zhang, James P. Donahue
Publikováno v:
Acta Crystallographica Section E: Crystallographic Communications, Vol 80, Iss 8, Pp 873-877 (2024)
In the title molecule, C11H11BrO3, the dihydroindene moiety is essentially planar but with a slight twist in the saturated portion of the five-membered ring. The methoxy groups lie close to the above plane. In the crystal, π-stacking interactions be
Externí odkaz:
https://doaj.org/article/c1b8ae62c6fa4f7b869467008f42bd5b
Autor:
Navneet Goyal, James P. Donahue, Anthony Thompson, Xiaodong Zhang, Joel T. Mague, Maryam Foroozesh
Publikováno v:
Acta Crystallographica Section E: Crystallographic Communications, Vol 80, Iss 6, Pp 659-662 (2024)
Ethyl 2-[(2-oxo-2H-chromen-6-yl)oxy]acetate, C13H12O5, a member of the pharmacologically important class of coumarins, crystallizes in the monoclinic C2/c space group in the form of sheets, within which molecules are related by inversion centers and
Externí odkaz:
https://doaj.org/article/13c0bce8eed548f5baf1cef7e5dcd99e
Autor:
Nadeem Abad, Joel T. Mague, Abdulsalam Alsubari, El Mokhtar Essassi, Abdullah Yahya Abdullah Alzahrani, Youssef Ramli
Publikováno v:
Acta Crystallographica Section E: Crystallographic Communications, Vol 80, Iss 6, Pp 610-614 (2024)
In the title compound, C31H24N4O2, the dihydroquinoxaline units are both essentially planar with the dihedral angle between their mean planes being 64.82 (4)°. The attached phenyl rings differ significantly in their rotational orientations with resp
Externí odkaz:
https://doaj.org/article/d6c96e160bc64f7897e7049a1386c158
Autor:
Xuefei Wang, Zeqian Du, Yuegui Guo, Jie Zhong, Kun Song, Junyuan Wang, Jianqiang Yu, Xiuyan Yang, Chen-Ying Liu, Ting Shi, Jian Zhang
Publikováno v:
Acta Pharmaceutica Sinica B, Vol 14, Iss 6, Pp 2631-2645 (2024)
Colorectal cancer (CRC) is the second leading cause of cancer mortality worldwide. At initial diagnosis, approximately 20% of patients are diagnosed with metastatic CRC (mCRC). Although the APC‒Asef interaction is a well-established target for mCRC
Externí odkaz:
https://doaj.org/article/c0524837d5794f08b3e040de253ade1e
Publikováno v:
Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-17 (2024)
Abstract Protein-ligand binding affinity plays a pivotal role in drug development, particularly in identifying potential ligands for target disease-related proteins. Accurate affinity predictions can significantly reduce both the time and cost involv
Externí odkaz:
https://doaj.org/article/613bea268781413e90ca0a1f84233996
Autor:
Nadeem Abad, Joel T. Mague, Abdulsalam Alsubari, El Mokhtar Essassi, Mehrdad Pourayoubi, Abdullah Yahya Abdullah Alzahrani, Youssef Ramli
Publikováno v:
Acta Crystallographica Section E: Crystallographic Communications, Vol 80, Iss 4, Pp 383-387 (2024)
In the title compound, C17H12N2O, the quinoxaline moiety shows deviations of 0.0288 (7) to −0.0370 (7) Å from the mean plane (r.m.s. deviation of fitted atoms = 0.0223 Å). In the crystal, corrugated layers two molecules thick are formed by C—H.
Externí odkaz:
https://doaj.org/article/da8d9eae805345969b471f9d2345a844
Autor:
Nour El Hoda Mustaphi, Fatima Ezzahra Aboutofil, Lamyae El Houssni, Eiad Saif, Joel T. Mague, Karim Chkirate, El Mokhtar Essassi
Publikováno v:
Acta Crystallographica Section E: Crystallographic Communications, Vol 80, Iss 4, Pp 430-434 (2024)
The quinoxaline moiety in the title molecule, C13H13ClN2O3, is almost planar (r.m.s. deviation of the fitted atoms = 0.033 Å). In the crystal, C—H...O hydrogen bonds plus slipped π-stacking and C—H...π(ring) interactions generate chains of mol
Externí odkaz:
https://doaj.org/article/4f832516bf21419eab3d4eca58a714a9