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Axs smart apex 2 ccd x diffractometer

Manufactured by Bruker

The AXS Smart APEX II CCD X-diffractometer is a laboratory instrument designed for single-crystal X-ray diffraction analysis. It utilizes a charge-coupled device (CCD) detector to collect diffraction data from crystalline samples. The core function of this product is to determine the atomic and molecular structure of crystalline materials through the analysis of their X-ray diffraction patterns.

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Lab products found in correlation

3 protocols using axs smart apex 2 ccd x diffractometer

1

Single Crystal X-ray Structure Determination

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Data
collection of compound 1 was performed on a Bruker AXS
Smart APEX II CCD X-diffractometer equipped with graphite monochromated
Mo Kα radiation (λ = 0.71073 Å) at 293 ± 2 K.
An empirical absorption correction was applied using the SADABS program.
The structure was resolved by direct methods and refined by full matrix
least-squares fitting on F2 by using SHELXS-2014.68 (link) All non-hydrogen atoms were refined anisotropically.
The hydrogen atoms of organic ligands were located geometrically and
with fixed isotropic thermal parameters. The hydrogen atoms for the
solvent water molecules excepting O1W were located through Fourier
electron density. The solvent water molecule (O1W) and carboxyl oxygen
atom (O4) were disordered, which were split over two sites and refined
with partial occupancy. Crystal data and structure refinements of
compound 1 are summarized in Table S1. Bond distances and angles of compound 1 are
listed in Table S2.
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2

Single-Crystal X-Ray Diffraction Analysis

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The crystals were grown by slow evaporation from methanol solution for 3a. Data collections were performed on the Bruker AXS Smart APEX II CCD X–diffractometer using filtered Mo- radiation (λ = 0.71073 Å) at 296 ± 2 K. The crystal structure was solved by direct method and refined by full–matrix least squares fitting on F2 by SHELXS–97. The non–hydrogen atoms were refined anisotropically. The crystallographic data have been deposited at the Cambridge Crystallographic Data Centre, reference number CCDC1444192. These data can be obtained free of charge via http://www.ccdc.cam.ac.uk/conts/retrieving.html (or from the CCDC, 12 Union Road, Cambridge CB2 1EZ, UK; Fax: +44 1223 336033; E-mail: deposit@ccdc.cam.ac.uk).
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3

X-ray Single-Crystal Structure Determination

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The crystals suitable for X-ray single-crystal structure study were grown by slow evaporation from methanol solution for compound 3e. Data collections were performed on the Bruker AXS Smart APEX II CCD X–diffractometer equipped with graphite monochromated Mo Kα radiation (λ = 0.71073 Å) at 296 ± 2K. The crystal structure was determined by direct methods and refined by full–matrix least squares fitting on F2 by SHELXS–97 [30 (link)]. All non-hydrogen atoms were refined anisotropically.
The crystallographic data have been deposited at the Cambridge Crystallographic Data Centre. These data can be obtained free of charge at http://www.ccdc.cam.ac.uk/conts/retrieving.html (or from the CCDC, 12 Union Road, Cambridge CB2 1EZ, UK; Fax: +44 1223 336033; E-mail: deposit@ccdc.cam.ac.uk).
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