AI Article Synopsis
- The compound has the molecular formula C(24)H(18)N(2)O(3)S and features a benzofuran ring system with a small r.m.s. deviation of 0.010 Å.
- The study highlights the angles formed between the benzofuran, benzene, and thiazole rings, with notable dihedral angles of 83.13°, 8.92°, and 84.51° respectively.
- An intra-molecular C-H⋯O hydrogen bond is present that closes an S(6) ring, while no inter-molecular hydrogen bonds are observed.
Article Abstract
In the title compound, C(24)H(18)N(2)O(3)S, the benzofuran ring system (r.m.s. deviation = 0.010 Å) forms dihedral angles of 83.13 (17) and 8.92 (14)° with the benzene and thia-zole rings, respectively. The dihedral angle between the benzene and thia-zole rings is 84.51 (19)°. The mol-ecular structure features an intra-molecular C-H⋯O hydrogen bond, which closes an S(6) ring. There are no inter-molecular hydrogen bonds observed in this structure.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435740 | PMC |
| http://dx.doi.org/10.1107/S1600536812035039 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Crystal structure and Hirshfeld surface analysis of ()-4-{[4-(3-methyl-3-phenyl-cyclo-but-yl)thia-zol-2-yl]amino}-4-oxobut-2-enoic acid.
Acta Crystallogr E Crystallogr Commun
January 2022
Department of Chemistry, Sciences Faculty, Fırat University, 23119, Elazığ, Turkey.
The title cyclo-butyl compound, CHNOS, was synthesized by the inter-action of 4-(3-methyl-3-phenyl-cyclo-but-yl)thia-zol-2-amine and maleic anhydride, and crystallizes in the ortho-rhom-bic space group 222 with ' = 1. The mol-ecular geometry is partially stabilized by an intra-molecular N-H⋯O hydrogen bond forming an (7) ring motif. The mol-ecule is non-planar with a dihedral angle of 88.
View Article and Find Full Text PDFCrystal structure, Hirshfeld surface analysis and inter-action energy and DFT studies of 1-(1,3-benzo-thia-zol-2-yl)-3-(2-hy-droxy-eth-yl)imidazolidin-2-one.
Acta Crystallogr E Crystallogr Commun
March 2020
Laboratoire de Chimie Organique Hétérocyclique URAC 21, Pôle de Compétence Pharmacochimie, Av. Ibn Battouta, BP 1014, Faculté des Sciences, Université Mohammed V, Rabat, Morocco.
In the title mol-ecule, CHNOS, the benzo-thia-zine moiety is slightly non-planar, with the imidazolidine portion twisted only a few degrees out of the mean plane of the former. In the crystal, a layer structure parallel to the plane is formed by a combination of O-H⋯N hydrogen bonds and weak C-H⋯O and C-H⋯O (Hydethy = hy-droxy-ethyl, Thz = thia-zole, Imdz = imidazolidine and Bnz = benzene) inter-actions, together with C-H⋯π(ring) and head-to-tail slipped π-stacking [centroid-to-centroid distances = 3.6507 (7) and 3.
View Article and Find Full Text PDF'-(1,3-Benzo-thia-zol-2-yl)benzene-sulfono-hydrazide: crystal structure, Hirshfeld surface analysis and computational chemistry.
Acta Crystallogr E Crystallogr Commun
April 2019
Research Centre for Crystalline Materials, School of Science and Technology, Sunway University, 47500 Bandar Sunway, Selangor Darul Ehsan, Malaysia.
The asymmetric unit of the title compound, CHNOS, comprises two independent mol-ecules ( and ); the crystal structure was determined by employing synchrotron radiation. The mol-ecules exhibit essentially the same features with an almost planar benzo-thia-zole ring (r.m.
View Article and Find Full Text PDFCrystal structure of 3-meth-oxy-4-[2-(thia-zol-2-yl)diazen-1-yl]aniline monohydrate.
Acta Crystallogr E Crystallogr Commun
March 2019
Department of Chemistry, Faculty of Science, Kasetsart University, Bangkok, 10900, Thailand.
In the title hydrated azo dye, CHNOS·HO, the benzene and thia-zole, are nearly coplanar, with a dihedral angle between their mean planes of 4.69 (17)°. The aromatic rings on the -N=N- moiety exhibit a configuration.
View Article and Find Full Text PDFCrystal structure and Hirshfeld surface analysis of ()-4-chloro-'-(4-oxo-thia-zol-idin-2-yl-idene)benzene-sulfono-hydrazide monohydrate.
Acta Crystallogr E Crystallogr Commun
November 2018
Department of Chemistry, Mangalore University, Mangalagangotri 574 199, Mangalore, India.
The asymmetric unit of the title thia-zole derivative containing a sulfonyl-hydrazinic moiety, CHClNOS·HO, consists of two independent mol-ecules and two water mol-ecules. The central parts of the mol-ecules are twisted as both the mol-ecules are bent at both the S and N atoms. In the crystal, N-H⋯N, N-H⋯O, C-H⋯O and O-H⋯O hydrogen-bonding inter-actions connect the mol-ecules, forming layers parallel to the plane.
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!