Nano-ferrite supported glutathione as a reusable nano-organocatalyst for the synthesis of phthalazine-trione and dione derivatives under solvent-free conditions
Dam, Binoyargha; Saha, Mithu; Jamatia, Ramen; Pal, Amarta Kumar; RSC Advances 6 (2016) 54768–; doi:10.1039/C6RA06376D

data_7236211
_publ_section_title
;
 Nano-ferrite supported glutathione as a reusable nano-organocatalyst for
 the synthesis of phthalazine-trione and dione derivatives under
 solvent-free conditions
;
_journal_issue                   60
_journal_name_full               'RSC Advances'
_journal_page_first              54768
_journal_paper_doi               10.1039/C6RA06376D
_journal_volume                  6
_journal_year                    2016
_chemical_formula_moiety         'C20 H15 Cl N4 O6'
_chemical_formula_sum            'C20 H15 Cl N4 O6'
_chemical_formula_weight         442.82
_chemical_name_systematic        AP-BIN-8
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_Int_Tables_number      14
_atom_sites_solution_primary     iterative
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Olex2 1.2
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2015-11-25 deposited with the CCDC.
2016-05-24 downloaded from the CCDC.
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
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_computing_structure_solution    'olex2.solve (Bourhis et al., 2013)'
_diffrn_ambient_temperature      295.2(8)
_diffrn_detector_area_resol_mean 8.0640
_diffrn_measured_fraction_theta_full 0.8702
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  1 omega    1.00   31.00   1.0000   17.0500
omega____ theta____ kappa____ phi______ frames
    -      -20.2184   -6.0000   -5.0000 30

  2 omega  -95.00  -69.00   1.0000   17.0500
omega____ theta____ kappa____ phi______ frames
    -      -20.2184   -6.0000   -5.0000 26

  3 omega   -4.00   89.00   1.0000   17.0500
omega____ theta____ kappa____ phi______ frames
    -       22.4059   77.0000  -30.0000 93

  4 omega   47.00   93.00   1.0000   17.0500
omega____ theta____ kappa____ phi______ frames
    -       22.4059   57.0000   90.0000 46

  5 omega  -41.00   55.00   1.0000   17.0500
omega____ theta____ kappa____ phi______ frames
    -       22.4059  -77.0000   30.0000 96
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_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
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_diffrn_orient_matrix_UB_22      -0.0063680000
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_diffrn_orient_matrix_UB_31      0.0031678000
_diffrn_orient_matrix_UB_32      0.0842908000
_diffrn_orient_matrix_UB_33      0.0020585000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_theta_full        28.8276
_diffrn_reflns_theta_max         28.83
_diffrn_reflns_theta_min         3.14
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.247
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_exptl_absorpt_correction_T_min  0.87184
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CrysAlisPro, Agilent Technologies,
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Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_density_diffrn    1.5258
_exptl_crystal_F_000             913.0896
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.1P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_limit_h_min              -15
_reflns_limit_k_max              11
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_reflns_limit_l_min              -11
_reflns_number_gt                3038
_reflns_number_total             4397
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            c6ra06376d2.cif
_cod_data_source_block           AP-BIN-8
_cod_database_code               7236211
_chemical_oxdiff_formula         C20H15ClN4O6
_reflns_odcompleteness_completeness 99.69
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_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C13(H13)
2.b Secondary CH2 refined with riding coordinates:
 C28(H28a,H28b)
2.c Aromatic/amide H refined with riding coordinates:
 C1d(H1d), C1g(H1g), C10(H10), C29(H29), C1h(H1h), C1j(H1j), C1f(H1f)
2.d X=CH2 refined with riding coordinates:
 N4(H4a,H4b)
2.e Idealised Me refined as rotating group:
 C27(H27a,H27b,H27c)
;