The title compound, C(8)H(13)Br(2)NO(3), crystallizes as a non-merohedral twin with twin law -0.6 0 0.4/0 - 1 0 /1.6 0 0.6, and the structure has a refined twin domain ratio of 0.546 (5). The structure shows a compact conformation, with the ester unit roughly coplanar with a mean plane fitted through the non-H atoms of the pyrrolidine ring [dihedral angle = 8.23 (9)°]. In the crystal, inversion dimers linked by pairs of O-H⋯O hydrogen bonds generate an R(2) (2)(12) motif.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983708PMC
http://dx.doi.org/10.1107/S1600536810005106DOI Listing

Publication Analysis

Top Keywords

2-propyl 33-dibromo-2-hydroxy-pyrrolidine-1-carboxyl-ate
4
33-dibromo-2-hydroxy-pyrrolidine-1-carboxyl-ate title
4
title compound
4
compound c8h13br2no3
4
c8h13br2no3 crystallizes
4
crystallizes non-merohedral
4
non-merohedral twin
4
twin twin
4
twin law
4
law -06
4

Similar Publications

Fruit Extract: Bioactive Compounds, ADMET Analysis, and Molecular Docking with Penicillin-Binding Protein 2a Transpeptidase of Methicillin-Resistant .

Curr Issues Mol Biol

January 2025

Department of Clinical Laboratories Sciences, College of Applied Medical Sciences, Taif University, P.O. Box 11099, Taif 21944, Saudi Arabia.

is a rich source of bioactive molecules and thrives in Mediterranean and desert climate regions worldwide. In this study, methanolic HPLC fractions were evaluated for bioactive compounds and PBP2a transpeptidase inhibitors against methicillin-resistant (MRSE). Among the collected HPLC fractions, F02 of the methanol extract demonstrated potential activity against MRSE01 (15 ± 0.

View Article and Find Full Text PDF

Associations of prenatal organophosphate esters exposure with risk of eczema in early childhood, mediating role of gut microbiota.

J Hazard Mater

January 2025

Key Lab of Health Technology Assessment, National Health Commission of the People's Republic of China, Fudan University, Shanghai 200032, China; Key Laboratory of Public Health Safety, Ministry of Education, School of Public Health, Fudan University, Shanghai 200032, China. Electronic address:

Few epidemiological evidence has focused on the impact of organophosphate esters (OPEs) and the risk of eczema, and underlying role of gut microbiota. Based on the Shanghai Maternal-Child Pairs Cohort, a nested case-control study including 332 eczema cases and 332 controls was conducted. Umbilical cord blood and stools were collected for OPEs detection and gut microbiota sequencing, separately.

View Article and Find Full Text PDF

Analysis of potential human accumulation differences and mechanisms of environmental new flame retardants: Based on in vitro experiments and theoretical calculations.

Sci Total Environ

February 2025

Institute of Organic Contaminant Control and Soil Remediation, College of Resources and Environmental Sciences, Nanjing Agricultural University, Nanjing 210095, China. Electronic address:

Hundreds of new flame retardants (NFRs) are widely used, causing environmental pollution and threating human health. In this study, based on the interaction of NFRs and human serum albumin (HSA), we assessed the differences in potential human accumulation of 8 NFRs including 1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane (TBECH), tetrabromobisphenol A bis(dibromopropyl ether) (TBBPA-DBPE), 2,4,6-tribromophenol (TBP), pentabromophenol (PBP), tri-n-butyl phosphate (TnBP), triphenyl phosphate (TPP), Tri(2-chloroethyl) phosphate (TCEP), and Tri(1,3-dichloro-2-propyl) phosphate (TDCP). All NFRs could bind to HSA and cause slight damage to its structure, suggesting their potential human accumulation ability.

View Article and Find Full Text PDF

TDCPP promotes apoptosis and inhibits the calcium signaling pathway in human neural stem cells.

Sci Total Environ

January 2025

State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012, China. Electronic address:

Tris (1, 3-dichloro-2-propyl) phosphate (TDCPP) is an extensively used organophosphorus flame retardant (OFR). Previous studies have suggested that it has neurotoxic effects, but the neurotoxicity mechanism is still unclear. Neural stem cells are an important in vitro model for studying the neurotoxicity mechanism of pollutants.

View Article and Find Full Text PDF

Individual and joint effects of exposure to multiple organophosphate esters and the risk of depression in adults: Differences in sex, age, and physical activity.

Ecotoxicol Environ Saf

December 2024

Department of Epidemiology, School of Public Health, Guangxi Medical University, Nanning, Guangxi 530021, China. Electronic address:

Depression, a severe mental disorder, is a prominent cause of global disability and worldwide. Organophosphate esters (OPEs) are neuron-disrupting chemicals that potentially cause depression. However, the effects of OPEs on depression remain unclear.

View Article and Find Full Text PDF

Want 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!