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Crystal data for 3a (CHCl3/EtOH, C22H 15ClN2O4, M, 406.81, triclinic, P1, a, 8.421(1, b, 10.709(1, c, 12.077(2) Å, a, 103.33(1, β, 101.24(1, γ, 110.090(1)°, V, 949.5(2) Å3, Z, 2 Dcalcd, 1.423 g cm-3, μ (Mo-Kα, 0.23 mm-1, F2(000, 420, colorless block, dimensions 0.25 X 0.20 X 0.15 mm, 4008 reflections measured (Rint, 0.0205, 3267 unique, wR2, 0.111, conventional R, 0.0418 on F 2 values of 2129 reflections with I > 2σ(I, Δ/σ) max, 000, S, 1.022 for all data and 263 parameters. Structure solutions by direct methods and refinements by full-matrix, least-squares methods on F2. Programs: XSCANS Siemens Analytical X
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2. Programs: XSCANS (Siemens Analytical X-ray Instrument Inc., Madison, WI, USA, 1996) for data collection and data processing; SHELXTL-NT (Bruker AXS Inc., Madison, Wisconsin, USA, 1997) for structure determination, refinements and molecular graphics. CCDC-644536 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/ data_request/cif; for queries relating to X-ray data, please contact maulik_prakas@yahoo.com).
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30
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34548760872
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Crystal data for compound 5c (EtOAc/hexane, C22H 12Cl2N2O, M, 391.24, monoclinic, P21/c, a, 16.207(2, b, 6.834(1, c, 17.281(2) Å, β, 107.57(1)°, V, 1824.7(4) Å3, Z, 4, Dcalcd, 1424 g cm -3, μ (Mo-Kα, 0.37 mm-1, F 2(000, 800, colorless block, dimensions 0.3 X 0.25 X 0.2 mm, 4539 reflections measured (Rint, 0.0496, 3200 unique, wR2, 0.1542, conventional R, 0.0626 on F values of 1543 reflections with I > 2σ(I, Δ/σ)max, 000, S, 0.988 for all data and 244 parameters. CCDC-644537 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via
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max = 000), S = 0.988 for all data and 244 parameters. CCDC-644537 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data_request/cif.
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31
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34548744065
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Crystal data for compound 7d, D6]DMSO containing TMS, C22H14Cl2N2O·[(CH 3)3Si]2, M, 466.44, triclinic, P1, a, 8.774(1, b, 11.963(1, c, 12.624(1) Å, a, 63.01, β, 76.76(1, γ, 72.69(1)°, V, 1120.36(2) Å3, Z, 2 Dcalcd, 1.383 g cm-3, μ (Mo-Kα, 0.36 mm-1, F2(000, 486, colorless block, dimensions 0.275 X 0.25 X 0.15 mm, 4637 reflections measured (Rint, 0.018, 3814 unique, wR2, 0.1734, conventional R, 0.0605 on F2 values of 2995 reflections with I > 2σ(I, Δ/σ)max, 000, S, 1.022 for all data and 288 parameters. CCDC-644538 contains the supplementary crystallographic data for this
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max = 000, S = 1.022 for all data and 288 parameters. CCDC-644538 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/ data_request/cif.
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32
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34548736010
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Crystal data for compound 11b (CHCl3/EtOH, C 22H15BrN2O, M, 403.27, orthorhombic, Aba2, a, 12.616(2, b, 24.779(3, c, 11.587(1) Å, V, 3622.2(8) Å3, Z, 8 Dcalcd, 1.479 g cm-3, μ (Mo-Kα, 2.28 mm -1, F2(000, 1640, colorless block, dimensions 0.3 X 0.25 X 0.2 mm, 2096 reflections measured (Rint, 0.0238, 1822 unique, wR2, 0.0807, conventional R, 0.0476 on F2 values of 1269 reflections with I > 2σ(I, Δ/σ)max, 000, S, 1.002 for all data and 235 parameters. CCDC-644535 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via
-
max = 000, S = 1.002 for all data and 235 parameters. CCDC-644535 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/ data_request/cif.
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