Acylation of oxindoles using methyl/phenyl esters via the mixed Claisen condensation - an access to 3-alkylideneoxindoles.
Sreedharan, Ramdas; Rajeshwaran, Purushothaman; Panyam, Pradeep Kumar Reddy; Yadav, Saurabh; Nagaraja, C. M.; Gandhi, Thirumanavelan; Organic & biomolecular chemistry 18 (2020) 3843–3847; doi:10.1039/d0ob00789g

data_7157486
_publ_section_title
;
 Acylation of oxindoles using methyl/phenyl esters via the mixed Claisen
 condensation - an access to 3-alkylideneoxindoles.
;
_journal_issue                   20
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              3843
_journal_page_last               3847
_journal_paper_doi               10.1039/d0ob00789g
_journal_volume                  18
_journal_year                    2020
_chemical_formula_sum            'C16 H11 Br N O2'
_chemical_formula_weight         329.17
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/ccdc.csd.cc23spj4
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-10-18 deposited with the CCDC.	2020-04-30 downloaded from the CCDC.
;
_cell_angle_alpha                83.964(5)
_cell_angle_beta                 73.197(5)
_cell_angle_gamma                73.333(5)
_cell_formula_units_Z            2
_cell_length_a                   8.3268(14)
_cell_length_b                   9.2126(13)
_cell_length_c                   9.6765(16)
_cell_measurement_temperature    273(2)
_cell_volume                     680.55(19)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.991
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0521
_diffrn_reflns_av_unetI/netI     0.0362
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            12915
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.402
_diffrn_reflns_theta_min         2.199
_exptl_absorpt_coefficient_mu    3.020
_exptl_crystal_density_diffrn    1.606
_exptl_crystal_F_000             330
_refine_diff_density_max         0.652
_refine_diff_density_min         -0.469
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     181
_refine_ls_number_reflns         2770
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0404
_refine_ls_R_factor_gt           0.0370
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0543P)^2^+0.4185P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1032
_refine_ls_wR_factor_ref         0.1054
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2534
_reflns_number_total             2770
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ob00789g2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7157486--7157487.cif.'
_cod_database_code               7157486
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              26915