Synthesis, crystal structure, spectroscopic features and Hirshfeld surfaces of 2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl acetate
Yaman, Mavişe; Cakmak, Şukriye; Dege, Necmi; Odabaşoğlu, Mustafa; Pavlenko, Vadim A.; Kutuk, Halil; Acta Crystallographica Section E 75 (2019) 423–427; doi:10.1107/S2056989019000021

data_2242864
_publ_section_title
;
 Synthesis, crystal structure, spectroscopic features and Hirshfeld
 surfaces of 2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl acetate
;
_journal_coeditor_code           YK2118
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              423
_journal_page_last               427
_journal_paper_doi               10.1107/S2056989019000021
_journal_volume                  75
_journal_year                    2019
_chemical_formula_iupac          'C17 H17 N O3'
_chemical_formula_moiety         'C17 H17 N O3'
_chemical_formula_sum            'C17 H17 N O3'
_chemical_formula_weight         283.31
_chemical_name_systematic
;
2-Methyl-3-[(2-methylphenyl)carbamoyl]phenyl acetate
;
_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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_atom_sites_solution_hydrogens   mixed
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_cell_length_c                   22.2112(15)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.52
_cell_measurement_theta_min      1.86
_cell_volume                     1516.37(17)
_computing_cell_refinement
;
X-AREA (Stoe & Cie, 2002)
;
_computing_data_collection
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X-AREA (Stoe & Cie, 2002)
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X-RED32 (Stoe & Cie, 2002)
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ORTEP-3 for Windows (Farrugia, 2012)
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WinGX (Farrugia, 2012), PLATON (Spek, 2009) and publCIF
(Westrip, 2010)
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SHELXL2017 (Sheldrick, 2015b)
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SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      296(2)
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_diffrn_reflns_theta_max         25.996
_diffrn_reflns_theta_min         1.857
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'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
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;
(X-RED32; Stoe & Cie, 2002)
;
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_exptl_crystal_description       prism
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_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.21
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_refine_diff_density_min         -0.135
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_refine_ls_number_reflns         5950
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.899
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0763P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_ref         0.1590
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