ORTEP-3 for Windows - a version of ORTEP-III with a Graphical User Interface (GUI)
01 Oct 1997-Journal of Applied Crystallography (International Union of Crystallography)-Vol. 30, Iss: 5, pp 565-565
TL;DR: L Lists of software presented and~or reviewed in the Journal of Applied Crystallography are available on the World Wide Web at the above address, together with information about the availability of the software where this is known.
Abstract: Computer Program Abstracts The category Computer Program Abstracts provides a rapid means of communicating up-to-date information concerning both new programs or systems and significant updates to existing ones. Following normal submission, a Computer Program Abstract will be reviewed by one or two members of the IUCr Commission on Crystallographic Computing. It should not exceed 500 words in length and should follow the standard format given on page 189 of the June 1985 issue of the Journal [J. Appl. CrysL (1985). 18, 189190] and on the World Wide Web at http://www.iucr. ac. uk/journals/jac/software/. Lists of software presented and~or reviewed in the Journal of Applied Crystallography are available on the World Wide Web at the above address, together with information about the availability of the software where this is known. J. App/. CrysL (1997). 30, 565 ORTEP-3 for Windows a version of ORTEP-III with a Graphical User Interface (GUI)
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TL;DR: Eight usnic acid derivatives, that is, usenamines A-F (1-6), usone (7), and isousone (8), together with the known (+)-usnic acid (9), were isolated from the lichen Usnea longissima and showed inhibitory effects on the growth of human hepatoma HepG2 cells.
Abstract: Eight usnic acid derivatives, that is, usenamines A–F (1–6), usone (7), and isousone (8), together with the known (+)-usnic acid (9), were isolated from the lichen Usnea longissima. Their structures were elucidated using 1D and 2D NMR and MS data, and the absolute configurations of compounds 1 and 2 were defined by single-crystal X-ray diffraction analyses. Compounds 1, 2, and 8 showed inhibitory effects on the growth of human hepatoma HepG2 cells with IC50 values of 6.0–53.3 μM compared with methotrexate as the positive control, which had an IC50 value of 15.8 μM. Furthermore, 1 induced apoptosis of HepG2 cells in a dose-dependent manner at concentrations of 0–15.0 μM. The isolated compounds were also evaluated for their antifungal and antibacterial activities, with 7 and 8 exhibiting weak inhibitory effects on fungal Trichophyton rubrum spp. with an MIC value of 41.0 μM.
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TL;DR: In this paper, the tridentate phosphinite PCP pincer type ligand [C 6 H 4 -1,3-(OPPh 2 ) 2 ] with [( η 6 - p -cymene)RuCl 2 ] 2 affords the bimetallic species [C6 H 4 1,3]-OPPh2 {Ru(η 6 − p -cycline)Cl 2 }) 2 ].
Abstract: The reaction of the potentially tridentate phosphinite PCP pincer type ligand [C 6 H 4 -1,3-(OPPh 2 ) 2 ] with [( η 6 - p -cymene)RuCl 2 ] 2 affords the bimetallic species [C 6 H 4 -1,3-(OPPh 2 {Ru( η 6 - p -cymene)Cl 2 }) 2 ]. Several attempts, including the change of the ruthenium starting material (e.g. [( η 6 -benzene)RuCl 2 ] 2 ) and reflux conditions to achieve the coordination of the diphosphinite [C 6 H 4 -1,3-(OPPh 2 ) 2 ] in a tridentate PCP pincer fashion failed. Complex [C 6 H 4 -1,3-(OPPh 2 {Ru( η 6 - p -cymene)Cl 2 }) 2 ] was tested in the transfer hydrogenation of ketones.
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TL;DR: New Schiff bases (1, 2) of substituted salicylaldehydes and sulfamethoxazole (SMX)/sulfathiazole (STZ) are synthesized and characterized by elemental analysis and spectroscopic data, predicting that 1c and 2c have good drug like characters.
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TL;DR: Electrochemical studies of the complexes demonstrate both a quasi-reversible reduction and oxidation process for the Cu complexes, and magnetic susceptibility measurements indicate that both complexes are diamagnetic due to antiferromagnetic coupling between the d(9) Cu(II) centre and iminosemiquinone ligand radical.
Abstract: A tridentate benzoxazole-containing aminophenol ligand HL(BAP) was synthesized and complexed with Cu(II). The resulting Cu(II) complexes were characterized by X-ray, IR, UV-vis-NIR spectroscopies, and magnetic susceptibility studies, demonstrating that the ligand is oxidized to the o-iminosemiquinone form [L(BIS)](-) in the isolated complexes. L(BIS)Cu(II)Cl exhibits a distorted tetrahedral geometry, while L(BIS)Cu(II)OAc is square pyramidal. In both solid state structures the ligand is coordinated to Cu(II)via the benzoxazole, as well as the nitrogen and oxygen atoms from the o-iminosemiquinone moiety. The chloride, or acetate group occupies the fourth and/or fifth positions in L(BIS)Cu(II)Cl and L(BIS)Cu(II)OAc, respectively. Magnetic susceptibility measurements indicate that both complexes are diamagnetic due to antiferromagnetic coupling between the d(9) Cu(II) centre and iminosemiquinone ligand radical. Electrochemical studies of the complexes demonstrate both a quasi-reversible reduction and oxidation process for the Cu complexes. While L(BIS)Cu(II)X (X = Cl) is EPR-silent, chemical oxidation affords a species with an EPR signal consistent with ligand oxidation to form a d(9) Cu(II) iminoquinone species. In addition, chemical reduction results in a Cu(II) centre most likely bound to an amidophenoxide. Mild and efficient oxidation of alcohol substrates to the corresponding aldehydes was achieved with molecular oxygen as the oxidant and L(BIS)Cu(II)X-Cs2CO3 as the catalyst.
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TL;DR: In this article, four chiral organotin derivatives were reported with their crystal structure and their nonlinear optical properties were investigated experimentally in solid state and with the electric field induced second harmonic (EFISH) technique.
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