Synthesis of novel series of 7,7′-(substituted methylene)bis-imidazo[1,2-b]pyrazoles via an acid catalyzed one-pot three-component reaction
Driowya, Mohsine; Allouchi, Hassan; Gally, José Manuel; Bonnet, Pascal; Guillaumet, Gérald; New Journal of Chemistry 42 (2018) 5728–; doi:10.1039/C7NJ05088G

data_7057143
_publ_section_title
;
 Synthesis of novel series of 7,7&#x2032;-(substituted
 methylene)bis-imidazo[1,2-b]pyrazoles via an acid catalyzed one-pot
 three-component reaction
;
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              5728
_journal_paper_doi               10.1039/C7NJ05088G
_journal_volume                  42
_journal_year                    2018
_chemical_formula_sum            'C48.5 H59 Cl N11'
_chemical_formula_weight         831.51
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
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_audit_update_record
;
2017-12-18 deposited with the CCDC.
2018-03-08 downloaded from the CCDC.
;
_cell_angle_alpha                105.058(4)
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_cell_measurement_temperature    170(2)
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
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WinGX Version 2014.12, J.L. Farrugia, 212, J Appl. Cryst. 45, 849-854
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_diffrn_ambient_temperature      170(2)
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_diffrn_measurement_details
;
  1 omega  -36.00   61.00   1.0000  170.0000
omega____ theta____ kappa____ phi______ frames
    -      -18.7155   77.0000 -120.0000 97

  2 omega  -13.00  103.00   1.0000  170.0000
omega____ theta____ kappa____ phi______ frames
    -       19.6530   77.0000  120.0000 116

  3 omega    4.00   55.00   1.0000  170.0000
omega____ theta____ kappa____ phi______ frames
    -       19.6530   77.0000 -150.0000 51

  4 omega  -14.00   99.00   1.0000  170.0000
omega____ theta____ kappa____ phi______ frames
    -       19.6530   77.0000    0.0000 113

;
_diffrn_measurement_device       'four-circle diffractometer'
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_av_unetI/netI     0.1479
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         3.217
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.128
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.33450
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CrysAlisPro, Agilent Technologies,
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Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.189
_exptl_crystal_description       'distrorted cube'
_exptl_crystal_F_000             888
_exptl_crystal_size_max          0.170
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
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_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1604P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2518
_refine_ls_wR_factor_ref         0.3208
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4756
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7nj05088g2.cif
_cod_data_source_block           md15-n2-a
_cod_depositor_comments
'Adding full bibliography for 7057143--7057144.cif.'
_cod_original_formula_sum        'C48.50 H59 Cl N11'
_cod_database_code               7057143
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.979
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_shelx_res_checksum              62354