The two symmetry-independent mol-ecules in the asymmetric unit of the title compound, C(17)H(14)N(2)S(2), have similar geometry; the dihedral angles between the least-squares planes of the benzothia-zole groups in the two mol-ecules are 83.93 (3) and 81.26 (3)°.
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http://dx.doi.org/10.1107/S1600536810035488 | DOI Listing |
J Am Chem Soc
December 2024
Department of Materials and Environmental Chemistry, Stockholm University, SE-106 91 Stockholm, Sweden.
The structure of novel large pore borosilicate zeolite EMM-59 (|CHN|[BSiO]) with localized framework boron sites was determined by using three-dimensional electron diffraction (3D ED) and scanning transmission electron microscopy (STEM) imaging. EMM-59 was synthesized using 2,2-(cyclopentane-1,1-diyl)bis(,-diethyl--methylethan-1-aminium) as an organic structure-directing agent (OSDA). The framework has a three-dimensional intersecting channel system delimited by 12 × 10 × 10-ring openings and contains 28 T and 60 oxygen atoms in the asymmetric unit, making it the most complex monoclinic zeolite.
View Article and Find Full Text PDFNat Commun
October 2024
School of Molecular Sciences, University of Western Australia, Crowley, Western Australia, Australia.
Molecules that can reversibly switch between electronic states under an external stimulus are of interest to numerous applications. Complexes of open shell metal ions with redox active ligands undergo valence tautomerism, resulting in magnetic, colour and structural switching, relevant to data storage and actuators. However, the precise structural changes occurring during valence tautomerism in the solid state are unclear due to the lack of atomic-resolution characterization.
View Article and Find Full Text PDFACS Appl Mater Interfaces
September 2024
Department of Chemistry and Molecular Design Institute, New York University, New York, New York 10003, United States.
The activity of crystalline contact insecticides relies on the extraction of surface molecules by insect tarsi upon contact. Most crystals are inherently anisotropic, and surface molecules on symmetry independent faces are expected to have different free energies. The facet-dependent bioavailability and associated efficacy of insect lethality have not been investigated, however.
View Article and Find Full Text PDFCryst Growth Des
February 2024
Chemistry, School of Natural and Environmental Sciences, Newcastle University, Bedson Building, Newcastle upon Tyne NE1 7RU, U.K.
' is a parameter used to denote the number of symmetry-independent molecules in the asymmetric unit of a crystal structure. High ' (>1) crystal structures are relatively uncommon and are thought to arise through competition between intermolecular interactions of similar strength. As such high ' crystal structures are challenging to predict and new examples are valuable in improving understanding in the field.
View Article and Find Full Text PDFSpectrochim Acta A Mol Biomol Spectrosc
March 2024
Institute of Low Temperature and Structure Research, 2 Okólna Str., Wrocław 50-422, Poland.
A new methyl-dinitro-phenylhydrazinyl-pyridine derivative [2-methyl-3,5-dinitro-6-(2-phenylhydrazinyl)pyridine] was synthesised and characterised by means of structural and spectroscopic measurements. The X-ray diffraction studies revealed that the compound crystallises in the centrosymmetric monoclinic space group P2/n, with two symmetry-independent molecules in the asymmetric unit with Z = 8. Hydrazo bridge C-NH-NH-C links two fragments composed of phenyl ring and pyridine unit substituted with methyl and nitro groups.
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