Author
Xiao-Lan Yu
Bio: Xiao-Lan Yu is an academic researcher from Sun Yat-sen University. The author has contributed to research in topics: Dihedral angle & Aromaticity. The author has an hindex of 4, co-authored 6 publications receiving 27 citations.
Topics: Dihedral angle, Aromaticity, Double bond, Hydrogen bond, Moiety
Papers
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TL;DR: In this paper, the benzene ring of the anion makes dihedral angles of 82.00 (8) and 74.96 (8)° with the mean planes through benzene rings of the cation and pyridinium ring, respectively.
Abstract: In the title compound, C15H16NO2+·C6H4BrSO3−, the cation is almost planar. The benzene ring of the anion makes dihedral angles of 82.00 (8) and 74.96 (8)° with the mean planes through the benzene ring of the cation and the pyridinium ring, respectively. In the solid state, the cations and anions are packed as alternate layers parallel to the ac plane. These layers are interconnected through O—H⋯O, C—H⋯O and C—H⋯π interactions to form a three-dimensional network.
8 citations
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TL;DR: The first tetra-nor-tri-ter-pen-oid was isolated from the seeds of Lansium domesticum Coor as mentioned in this paper, where the four six-membered rings adopt chair, boat, envelope and screw-boat conformations.
Abstract: The title compound, methyl 2-[4-(3-furyl)-6b,10a-dihydroxy-3a,7,9,9-tetramethyl-6,10-dioxo-2,3,3a,6b,7,8,9,10,10a,11-decahydro-1aH,4H,6H-benzo[h][1]benzoxireno[3,2,1a-de]isochromen-8-yl]acetate, C27H32O9, is a new tetranortriterpenoid which was isolated for the first time from the seeds of Lansium domesticum Coor. The four six-membered rings adopt chair, boat, envelope and screw-boat conformations. The furan substituent is planar and is attached equatorially to the lactone ring. O—H⋯O hydrogen bonds link the molecules into chains along [100] and adjacent chains are interconnected by C—H⋯O interactions.
6 citations
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TL;DR: The C15H11BrO2 as discussed by the authors is a centrosymmetric hydrogen-bonded dimer with a dihedral angle of 10.2'2'°.
Abstract: The title molecule, C15H11BrO2, is approximately planar and the dihedral angle between the two aromatic rings is 10.2 (2)°. The H atoms of the central enone moiety are trans. The molecules form centrosymmetric hydrogen-bonded dimers via intermolecular O—H⋯O hydrogen bonds (H⋯O = 2.02 A and O—H⋯O = 172°).
5 citations
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TL;DR: In this paper, the C15H11ClO2, the ketone group is in the s-cis conformation with respect to the olefinic double bond and the two aromatic rings form a dihedral angle of 26.07°(8)°.
Abstract: In the title molecule, C15H11ClO2, the ketone group is in the s-cis conformation with respect to the olefinic double bond. The two aromatic rings form a dihedral angle of 26.07 (8)°. Screw-related molecules are linked via O—H⋯O hydrogen bonds, forming a chain along the c axis. Weak C—H⋯O and C—H⋯Cl interactions interconnect the chains into a three-dimensional network.
4 citations
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TL;DR: The C16H14O3 as mentioned in this paper is a 3D graph-set motif with the dihedral angle between the two benzene rings being 9.51°(7)° and the configuration of the keto group with respect to the olefinic double bond s-cis.
Abstract: The title molecule, C16H14O3, is slightly distorted from planarity, the dihedral angle between the two benzene rings being 9.51 (7)°. The configuration of the keto group with respect to the olefinic double bond is s-cis. O—H⋯O hydrogen bonds, and C—H⋯O and π–π interactions, link the molecules to form a three-dimensional network. The C—H⋯O interactions form rings of graph-set motifs S(5), R_{2}^{1}(6) and R_{2}^{1}(7).
4 citations
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TL;DR: This critical review describes how halocarbons can function as effective binding sites of anions via halogen bonding, the noncovalent interaction whereby halogen atoms accept electron density.
Abstract: This critical review describes how halocarbons can function as effective binding sites of anions via halogen bonding, the noncovalent interaction whereby halogen atoms accept electron density. The focus is on the binding and coordination of oxyanions, by far the most numerous class of anions in organic chemistry. It is shown how a large variety of inorganic and organic oxyanions can form discrete adducts and 1D, 2D, or 3D supramolecular networks with chloro-, bromo-, and iodocarbons. Specific examples are discussed in order to identify new supramolecular synthons based on halogen bonding and to outline some general principles for the design of effective and selective receptors based on this interaction. The interaction allows for several other anions to self-assemble with halocarbons and mention is also given to the halogen bonding-based coordination of halides, polycyano- and polyoxometallates (72 references).
417 citations
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TL;DR: This paper aims to demonstrate the efforts towards in-situ applicability of EMMARM, as to provide real-time information about concrete mechanical properties such as E-modulus and compressive strength.
Abstract: Natural Science Foundation of China[30000213, 30370160, 30670214]; National Basic Research Program of China (973 Program)[2009CB522300]; Chinese Academy of Sciences
372 citations
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TL;DR: The synthesis of two negatively charged organoiodine derivatives that form anti‐electrostatic XBs with anions is reported herein, representing the first cases of halogen bonding between an organic anionic XB donor and a different anion.
Abstract: Halogen bonding is often described as being driven predominantly by electrostatics, and thus adducts between anionic halogen bond (XB) donors (halogen-based Lewis acids) and anions seem counterintuitive. Such "anti-electrostatic" XBs have been predicted theoretically but for organic XB donors, there are currently no experimental examples except for a few cases of self-association. Reported herein is the synthesis of two negatively charged organoiodine derivatives that form anti-electrostatic XBs with anions. Even though the electrostatic potential is universally negative across the surface of both compounds, DFT calculations indicate kinetic stabilization of their halide complexes in the gas phase and particularly in solution. Experimentally, self-association of the anionic XB donors was observed in solid-state structures, resulting in dimers, trimers, and infinite chains. In addition, co-crystals with halides were obtained, representing the first cases of halogen bonding between an organic anionic XB donor and a different anion. The bond lengths of all observed interactions are 14-21 % shorter than the sum of the van der Waals radii.
49 citations
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TL;DR: The geometrical parameters of the title compound are in agreement with the XRD results and molecular docking results predicted the anti-leishmanic activity for the compound.
23 citations
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TL;DR: An overview about the reported data on L. domesticum from 1931 to November 2021, including nutritional value, traditional uses, phytoconstituents, and bioactivities, as well as nanoparticles and pharmaceutical formulations, are provided.
Abstract: Lansium domesticum (Langsat, Meliaceae) is a tropical fruit mainly found in Southeast Asian countries, particularly in Thailand, Malaysia, Indonesia, and the Philippines. Traditionally, it is utilized as a folk treatment for eye inflammation, ulcers, diarrhea, dysentery, fever, spasms, flatulence, worms, insect bites, scorpion stings, and malaria. Additionally, it is utilized as a mosquito repellent, skin moisturizer and whitening agent. Pharmacological research showed that the plant has a wide array of bioactivities, including antimalarial, antifeedant, anti-aging, wound healing, antioxidant, cytotoxic, analgesic, antibacterial, antimutagenic, insecticidal, and larvicidal. The most commonly described activities were attributed to the presence of terpenoids and phenolics. Further, some studies reported the preparation of nanoparticles and pharmaceutical formulations from the plant. This review highlights the potential of L. domesticum as herbal medicine. It provides an overview about the reported data on L. domesticum from 1931 to November 2021, including nutritional value, traditional uses, phytoconstituents, and bioactivities, as well as nanoparticles and pharmaceutical formulations.
13 citations