Results 11 to 20 of about 12,872 (188)

6-Bromo-1H-indole-2,3-dione hemihydrate

IUCrData, 2016
The title compound, C8H4BrNO2·0.5H2O, has a single planar molecule in the asymmetric unit with the non-H atoms having a mean deviation from planarity of 0.028 Å.
John R. Turbitt, James A. Golen, David R. Manke   +2 more
doaj   +1 more source

6-Iodo-1H-indole-2,3-dione

IUCrData, 2016
The molecule of the title compound, C8H4INO2, is almost planar, having an r.m.s. deviation from planarity of 0.019 Å for all non-H atoms. In the crystal, molecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers with an R22(8 ...
James A. Golen, David R. Manke
doaj   +1 more source

7-Bromo-1H-indole-2,3-dione

IUCrData, 2016
The title compound, C8H4BrNO2, has a single planar molecule in the asymmetric unit with the non-H atoms possessing a mean deviation from planarity of 0.034 Å. The molecules dimerize in the solid state through N—H...O hydrogen bonds.
James A. Golen, David R. Manke
doaj   +1 more source

Ansamitocin P3 depolymerizes microtubules and induces apoptosis by binding to tubulin at the vinblastine site. [PDF]

PLoS ONE, 2013
Maytansinoid conjugates are currently under different phases of clinical trials and have been showing promising activity for various types of cancers. In this study, we have elucidated the mechanism of action of ansamitocin P3, a structural analogue of ...
Jubina B Venghateri, Tilak Kumar Gupta, Paul J Verma, Ambarish Kunwar, Dulal Panda   +4 more
doaj   +1 more source

Synthesis, DFT Analyses, Antiproliferative Activity, and Molecular Docking Studies of Curcumin Analogues

Plants, 2022
With 19.3 million new cases and almost 10 million deaths in 2020, cancer has become a leading cause of death today. Curcumin and its analogues were found to have promising anticancer activity.
Mohamed Jawed Ahsan, Kavita Choudhary, Amena Ali, Abuzer Ali, Faizul Azam, Atiah H. Almalki, Eman Y. Santali, Md. Afroz Bakht, Abu Tahir, Salahuddin   +9 more
doaj   +1 more source

4-Bromo-1H-indole-2,3-dione

IUCrData, 2016
The title compound, C8H4BrNO2, has a single planar molecule in the asymmetric unit with the non-H atoms possessing a mean deviation from planarity of 0.024 Å. The molecules dimerize in the solid state through N—H...O hydrogen bonds.
Haobo Huang, James A. Golen, David R. Manke   +2 more
doaj   +1 more source

N-(3-Chlorophenyl)maleimide

Acta Crystallographica Section E, 2008
The title compound, C10H6ClNO2, has a dihedral angle of 46.46 (5)° between the benzene and maleimide rings. A short intermolecular halogen–oxygen contact is observed, with a Cl...O distance of 3.0966 (13) Å.
Javier Ellena, Zulay Pardo-Botero, Rodolfo Moreno-Fuquen   +2 more
doaj   +1 more source

4-Iodo-1H-indole-2,3-dione

IUCrData, 2016
The title compound, C8H4INO2, is an almost planar molecule having an r.m.s. deviation of 0.03 Å for all non-H atoms. In the crystal, molecules dimerize through pairs of N—H...O hydrogen bonds. These inversion dimers are linked through pairs of weak I...O
James A. Golen, David R. Manke
doaj   +1 more source

Hydrogen Bond versus Halogen Bond in HXOn (X = F, Cl, Br, and I) Complexes with Lewis Bases

Inorganics, 2019
We have theoretically studied the formation of hydrogen-bonded (HB) and halogen-bonded (XB) complexes of halogen oxoacids (HXOn) with Lewis bases (NH3 and Cl−) at the CCSD(T)/CBS//RIMP2/aug-cc-pVTZ level of theory.
David Quiñonero, Antonio Frontera
doaj   +1 more source

Decrypting the Unusual Structure and σ-Hole Interactions of the XC(NO₂)₃ (X=F, Cl, Br, and I) Compounds Using Quasi-Atomic Orbitals

Molecules
This work reports the quasi-atomic orbital analysis of the XC(NO2)3 (X=F, Cl, Br, and I) compounds and shows that the interactions between the C-N σ bonds and the lone electron pairs on the halogen atom and oxygen atoms of the nitro groups may contribute
Emilie B. Guidez
doaj   +1 more source