Unprecedented amidation of ‘transient’ aryl thioaldehydes by N,N-dimethylformamide under basic conditions
Basu, Basudeb; Kundu, Samir; New Journal of Chemistry 38 (2014) 3367–; doi:10.1039/C4NJ00480A

data_7054192
_publ_section_title
;
 Unprecedented amidation of &#x2018;transient&#x2019; aryl thioaldehydes
 by N,N-dimethylformamide under basic conditions
;
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              3367
_journal_paper_doi               10.1039/C4NJ00480A
_journal_volume                  38
_journal_year                    2014
_chemical_formula_sum            'C9 H10 Cl N S'
_chemical_formula_weight         199.69
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.198(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.1194(3)
_cell_length_b                   14.4115(4)
_cell_length_c                   7.3274(2)
_cell_measurement_temperature    296(2)
_cell_volume                     1026.18(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.988
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0950
_diffrn_reflns_av_sigmaI/netI    0.0523
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            12072
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.46
_diffrn_reflns_theta_min         2.10
_exptl_absorpt_coefficient_mu    0.522
_exptl_crystal_density_diffrn    1.293
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             416
_refine_diff_density_max         0.253
_refine_diff_density_min         -0.276
_refine_diff_density_rms         0.050
_refine_ls_extinction_coef       0.022(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.935
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     112
_refine_ls_number_reflns         2559
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.935
_refine_ls_R_factor_all          0.0715
_refine_ls_R_factor_gt           0.0465
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0780P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1310
_refine_ls_wR_factor_ref         0.1418
_reflns_number_gt                1546
_reflns_number_total             2559
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4nj00480a2.cif
_cod_data_source_block           smk-170
_cod_depositor_comments
'Adding full bibliography for 7054191--7054192.cif.'
_cod_database_code               7054192