The 'symmetrical' 1,5-bis-[1-(2-hydroxy-phen-yl)ethyl-idene]thio-carbazone Schiff base condenses with dibutyl-tin oxide to form the title complex, [Sn(C(4)H(9))(2)(C(17)H(16)N(4)O(2)S)], in which the deprotonated ligand O,N,S-chelates to the Sn atom of two crystallographically independent mol-ecules. The ligand bears a formal negative charge on the S and one O atom; the other O atom retains its H atom. The Sn atoms are five-coordinated in a cis-C(2)NOSSn trigonal-bipyramidal environment, and the apical sites are occupied by the O and S atoms. In both mol-ecules, the hydr-oxy group is hydrogen bonded to a double-bonded N atom, generating a six-membered ring. The amino group is a donor to the coordinated O atom of an adjacent mol-ecule, the hydrogen-bonding inter-action giving rise to a helical chain running along the b axis. In one of the independent mol-ecules, the atoms of one of the n-butyl groups are disordered over two sets of sites with equal occupancy. In the other independent mol-ecule, the atoms of both n-butyl groups are disordered over two sets of sites with equal occupancy and, in addition, the Sn and S atoms were also refined as disordered over two sets of sites with equal occupancy.
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http://dx.doi.org/10.1107/S1600536810016016 | DOI Listing |
IUCrdata
October 2024
Department of Chemistry, National College, Tiruchirappalli, Tamil Nadu, India.
In the crystal of the title compound, CHN, the mol-ecules are linked by N-H⋯N hydrogen bonds, generating a (4) chain extending along the -axis direction. One of the ethyl groups is disordered over two sets of sites with a refined occupancy ratio of 0.582 (15):0.
View Article and Find Full Text PDFIUCrdata
November 2024
EaStCHEM School of Chemistry, University of St Andrews, St Andrews, Fife KY16 9ST, United Kingdom.
The title racemic oxopyrrolidine compound, CHNO, contains three stereogenic centres and crystallizes with two mol-ecules in the asymmetric unit. The five-membered pyrrolidine rings in both mol-ecules exhibit envelope conformations. The -ethyl group of one of the mol-ecules is disordered over two sets of sites in a 0.
View Article and Find Full Text PDFIUCrdata
November 2024
School of Chemistry and Physics, University of KwaZulu-Natal, Westville campus, Private bag X54001, Durban, 4000, South Africa.
The crystal structure of the title compound, CHNOS, reveals two symmetrically independent mol-ecules within the asymmetric unit. Each mol-ecule contains a chromenone core attached to a 2-thio-phene ring, cyano, and amino groups. The 2-thio-phene ring of one of the two mol-ecules in the asymmetric unit was found to be disordered over two positions, with the major component having a site occupancy factor of 0.
View Article and Find Full Text PDFJ Biomol NMR
December 2024
Biological and Chemical Research Centre, Faculty of Chemistry, University of Warsaw, Żwirki i Wigury 101, 02-089, Warsaw, Poland.
The resonance assignment of large intrinsically disordered proteins (IDPs) is difficult due to the low dispersion of chemical shifts (CSs). Luckily, CSs are often specific for certain residue types, which makes the task easier. Our recent work showed that the CS-based spin-system classification can be improved by applying a linear discriminant analysis (LDA).
View Article and Find Full Text PDFJ Phys Chem B
December 2024
Chemical Institute, Kazan Federal University, Kremlevskaya 18, Kazan 420008, Russia.
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