In the cation of the title salt, CHNS·Br·HO, the central thia-zolidine ring adopts an envelope conformation with puckering parameters (2) = 0.279 (4) Å and φ(2) = 222.5 (9)°. The mean plane of the thia-zolidine ring makes dihedral angles of 12.4 (2) and 66.8 (3)° with the pyridine and phenyl rings, respectively. The pyridine ring in the title mol-ecule is essentially planar (r.m.s deviation = 0.005 Å). In the crystal, the cations, anions and water mol-ecules are linked into a three-dimensional network, which forms cross layers parallel to the (120) and (20) planes O-H⋯Br, N-H⋯Br and N-H⋯N hydrogen bonds. C-H⋯π inter-actions also help in the stabilization of the mol-ecular packing. Hirshfeld surface analysis and 2D (two-dimensional) fingerprint plots indicate that the most important contributions to the crystal packing are from H⋯H (35.5%), C⋯H/H⋯C (23.9%), Br⋯H/H⋯Br (16.4%), N⋯H/H⋯N (10.6%) and S⋯H/H⋯S (7.9%) inter-actions.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6127695PMC
http://dx.doi.org/10.1107/S2056989018011155DOI Listing

Publication Analysis

Top Keywords

hirshfeld surface
8
surface analysis
8
thia-zolidine ring
8
crystal structure
4
structure hirshfeld
4
analysis -5-phenyl-3-[pyridin-4-yl-methyl-ideneamino]-thia-zolidin-2-iminium
4
-5-phenyl-3-[pyridin-4-yl-methyl-ideneamino]-thia-zolidin-2-iminium bromide
4
bromide monohydrate
4
monohydrate cation
4
cation title
4

Similar Publications

We report the synthesis and characterization of new, user-friendly gold(I) [Au(μ-(NH)CCF)] coordination polymer and [AuCl(NH(NH=)CCF)] complex. These compounds were investigated for potential application as precursors in chemical vapor deposition (CVD) and focused electron/ion beam-induced deposition (FEBID/FIBID), which are additive methods to produce nanomaterials. Single-crystal X-ray diffraction, elemental analysis, and infrared spectroscopy were used to determine the complexes' composition and structure.

View Article and Find Full Text PDF

The application of temperature-compensated photonic device is hampered by poor accuracy and overly simplistic functions of propagation in photonic integrated circuits (PICs) field. Herein, we report a new library of donor-acceptor metal-organic framework (D-A MOF) with thermally activated delayed fluorescence (TADF) and the fabricating of temperature-compensated photonic device by virtue of the unique temperature response character of TADF emitters. Highly tunable through-space charge transfer (TSCT) of TADF was realized within the D-A MOFs through a novel strategy that synergistically combines the internal heavy atom effect (HAE) with an external HAE, induced by the incorporation of heavy atoms into different components, achieving the regulable photophysical indicators including adjustable PL wavelength (534 to 592 nm) and surging quantum yield (5.

View Article and Find Full Text PDF

The primary goal of the current work was to construct pH-sensitive nano and microcomposite hydrogel beads based on alginate (AL), carboxymethyl cellulose (CMC), biochar (BC), and two Moroccan clays: Ghassoul (swelling SW) and red (not swelling NSW) nano and microhybrid. The adsorbents, SW + AL, SW + AL + BC, SW + AL + CMC, NSW + AL, NSW + AL + BC, NSW + AL + CMC, AL, and AL + CMC were prepared for the adsorption of the antibiotic sulfadiazine (SDZ). The test samples were characterized using a variety of techniques, including X-Ray Diffraction (XRD), IR spectroscopy (FT-IR), and scanning electron microscopy (SEM), with the molecular structures of the studied additives geometrically optimized using the DFT/B3LYP method and the function 6-311G(d).

View Article and Find Full Text PDF

The cocrystal (or supramolecular complex) between the Cu(II) complex of salicylic acid and uncoordinated piracetam has been synthesized. Its structure is characterized by elemental analysis, FT-IR, UV-Vis spectroscopy, and X-ray crystallography. Spectroscopic methods confirm the formation of the metal complex, while X-ray crystallography establishes the molecular and crystal structure of the obtained compound.

View Article and Find Full Text PDF

In the title compound, CHFO, a central -hybridized carbon atom is decorated with three hepta-fluoro-2-meth-yloxy(cyclo-pent-1-ene) arms and a methyl group. The primary packing is determined by C-F⋯F-C inter-actions, forming [001] chains, which are consolidated weaker C-F⋯F-C and C-H⋯F-C contacts. A Hirshfeld surface analysis was conducted to aid in the visualization of these various influences on the packing: this revealed that the largest contribution to the surface contacts arises from F⋯F inter-actions (53.

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!