In the zwitterionic title compound, C(18)H(17)Br(4)N(3)O(2), the two salicylaldimine groups form a dihedral angle of 51.94 (2)° and the dihedral angle between the aromatic ring planes is 51.14 (2)°. One of the C atoms adjacent to the aza N atom is disordered over two positions; the site-occupancy factors are 0.51 (1) and 0.49 (1). There are two strong intra-molecular N-H⋯O hydrogen bonds in the mol-ecule.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960104 | PMC |
| http://dx.doi.org/10.1107/S1600536808037732 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
S-DCNN: prediction of ATP binding residues by deep convolutional neural network based on SMOTE.
Front Genet
January 2025
College of Sciences, Inner Mongolia University of Technology, Hohhot, China.
Background: The realization of many protein functions requires binding with ligands. As a significant protein-binding ligand, ATP plays a crucial role in various biological processes. Currently, the precise prediction of ATP binding residues remains challenging.
View Article and Find Full Text PDFStabilizing Contorted Doubly-Reduced Tetraphenylene with Heavy Alkali Metal Complexation: Crystallographic and Theoretical Evidence.
Chem Asian J
January 2025
Department of Chemistry, University at Albany, State University of New York, Albany, NY, 12222, USA.
The two-fold reduction of tetrabenzo[a,c,e,g]cyclooctatetraene (TBCOT, or tetraphenylene, 1) with K, Rb, and Cs metals reveals a distinctive core transformation pathway: a newly formed C-C bond converts the central eight-membered ring into a twisted core with two fused five-membered rings. This C-C bond of 1.589(3)-1.
View Article and Find Full Text PDFVacancy-Mediated Increases in Brine-Salt Surface Energies.
Langmuir
January 2025
Applied Systems Analysis & Research, Sandia National Laboratories, Albuquerque, New Mexico 87123, United States.
Salt formations have been explored for the permanent isolation of spent nuclear fuel based on their high thermal conductivity, self-healing nature, and low hydraulic permeability to brine flow. Vacancy defect concentrations in salt complicate fracture mechanics not driven by dislocation dynamics and can influence the resulting surface structure. Classical molecular dynamic simulations were used to simulate tensile testing of salt crystals (halite) with vacancy defect concentrations of up to 0.
View Article and Find Full Text PDF1-[(2-Chloro-phen-yl)di-phenyl-meth-yl]-1-pyrazole.
IUCrdata
December 2024
University of Mainz, Department of Chemistry, Duesbergweg 10-14, 55099 Mainz, Germany.
The title compound CHClN, also named as TRAM-34, crystallizes in the monoclinic space group 2/n. The dihedral angles between the pyrazole ring and the three six-membered rings are 62.28 (9), 69.
View Article and Find Full Text PDF3-(2-Hy-droxy-eth-yl)-1-(4-nitro-phen-yl)-1-benzo[]imidazol-3-ium bromide.
IUCrdata
December 2024
School of Chemistry and Physics, University of KwaZulu-Natal, Private Bag X54001, Durban, 4000, South Africa.
The cation of the title salt, CHNO ·Br, has a dihedral angle of 24.26 (6)° between its fused imidazole and 4-nitro-phenyl rings and the N-C-C-O torsion angle associated with the hy-droxy-ethyl substituent is 60.15 (17)°.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!