Synthesis, characterization, single crystal XRD, Hirshfeld surfaces, 3D energy framework calculations and DFT studies of ethanone and propanone derivatives of N-substituted pyrazolines

被引：0

作者：

Praveena, P. ^{[1
]}

Sarojini, B.K. ^{[1
]}

Wong, Q.A. ^{[2
]}

Quah, C.K. ^{[2
]}

Vishwanath, T. ^{[3
]}

机构：

[1] Department of Industrial Chemistry, Mangalore University, Mangalagangothri,Karnataka,574199, India

[2] X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, Penang,11800, Malaysia

[3] Department of Materials Science, Mangalore University, Mangalagangothri,Karnataka,574199, India

来源：

Journal of Molecular Structure | 2021年 / 1239卷

关键词：

D O I：

暂无

中图分类号：

学科分类号：

摘要：

Topology

引用

共 47 条

[21] Synthesis and Crystal Structure of a Novel Chiral 3D Metal-organic Framework Based on an N-methyl Substituted Salan Ligand
Zhang Fang-Wei
Zhou Yan-Fang
Dong Jin-Qiao
Liu Bai-Zhan
Zheng Sai-Jing
Cui Yong
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2014, 33 (08) : 1154 - 1158
[22] Synthesis and Crystal Structure of a Novel Chiral 3D Metal-organic Framework Based on an N-methyl Substituted Salan Ligand
张放为
周艳芳
董金桥
刘百战
郑赛晶
崔勇
结构化学, 2014, 33 (08) : 1154 - 1158
[23] Synthesis, crystal structure, Hirshfeld surface analysis, DFT calculations, 3D energy frameworks studies of Schiff base derivative 2,2′-((1Z,1′Z)-(1,2-phenylene bis(azanylylidene)) bis(methanylylidene)) diphenol
KM, Chandini
Al-Ostoot, Fares Hezam
Shehata, E. Eman
Elamin, Y. Nuha
Ferjani, Hela
Sridhar, M. A.
Lokanath, N. K.
JOURNAL OF MOLECULAR STRUCTURE, 2021, 1244
[24] Structural studies on two new phosphoramides with the same [OC4H8N]P(O) segment by means of single-crystal X-ray diffraction, Hirshfeld surface analysis and 3D energy framework approach
Bozorgvar, Marjan Sadat
Tarahhomi, Atekeh
van der Lee, Arie
JOURNAL OF MOLECULAR STRUCTURE, 2021, 1223
[25] Hydrothermal Synthesis, Crystal Structure and Spectroscopic Characterization of a Novel 2D → 3D Parallel Polycatenated Coordination Framework [Cd(cmb)(bix)] n
Bai, Liang
Li, Dong-Sheng
Yang, Jing-Jing
Duan, Ya-Ping
Zhao, Jun
Wu, Ya-Pan
JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS, 2013, 23 (06) : 1341 - 1346
[26] Hydrothermal Synthesis, Crystal Structure and Spectroscopic Characterization of a Novel 2D → 3D Parallel Polycatenated Coordination Framework [Cd(cmb)(bix)]n
Bai, Liang
Li, Dong-Sheng
Yang, Jing-Jing
Duan, Ya-Ping
Zhao, Jun
Wu, Ya-Pan
Journal of Inorganic and Organometallic Polymers and Materials, 2013, 23 (06): : 1341 - 1346
[27] Hydrothermal Synthesis, Crystal Structure and Spectroscopic Characterization of a Novel 2D → 3D Parallel Polycatenated Coordination Framework [Cd(cmb)(bix)]n
Liang Bai
Dong-Sheng Li
Jing-Jing Yang
Ya-Ping Duan
Jun Zhao
Ya-Pan Wu
Journal of Inorganic and Organometallic Polymers and Materials, 2013, 23 : 1341 - 1346
[28] Synthesis, single crystal (XRD), Hirshfeld surface analysis, computational study (DFT) and molecular docking studies of (E)-4-((2-hydroxy-3,5-diio dobenzylidene)amino)-N-(pyrimidine)-2-yl) benzenesulfonamide
Elangovan, N.
Sowrirajan, S.
HELIYON, 2021, 7 (08)
[29] 2-(allylthio)-5-(5-phenyl-1H-pyrazol-3-yl)-1,3,4-oxadiazole: Synthesis, single crystal XRD, spectroscopic characterization, antidiabetic activity, DFT and ADMET studies
El Hassani, Issam Ameziane
Brandan, Silvia A.
Mortada, Salma
Arshad, Suhana
Romano, E.
Ramli, Youssef
Mague, Joel T.
Faouzi, My El Abbes
Karrouchi, Khalid
Ansar, M'hammed
JOURNAL OF MOLECULAR STRUCTURE, 2024, 1295
[30] Crystal structure determination, Hirshfeld surface, crystal void, intermolecular interaction energy analyses, as well as DFT and energy framework calculations of 2-(4-oxo-4,5-dihydro-1H-pyrazolo-[3,4-d]pyrimidin-1-yl)acetic acid
Irrou, Ezaddine
Elmachkouri, Younesse Ait
Oubella, Ali
Ouchtak, Hassan
Dalbouha, Samira
Mague, Joel T.
Hokelek, Tuncer
El Ghayati, Lhoussaine
Sebbar, Nada Kheira
Taha, Mohamed Labd
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2022, 78 : 953 - +

← 1 2 3 4 5 →