Different packing motifs of isomeric (<i>E</i>)-<i>N</i>'-(halophenylmethylidene)-<i>N</i>-methyl-2-(thiophen-2-yl)acetohydrazides controlled by C—H···O interactions
Cardoso, Laura N. F.; Noguiera, Thais C. M.; Wardell, James L.; de Souza, Marcus V. N.; Harrison, William T. A.; Acta Crystallographica Section E 74 (2018) 313–318; doi:10.1107/S2056989018001251

data_2242370
_publ_section_title
;
 Different packing motifs of isomeric
 (<i>E</i>)-<i>N</i>'-(halophenylmethylidene)-<i>N</i>-methyl-2-(thiophen-2-yl)acetohydrazides
 controlled by C---H&#x00B7;&#x00B7;&#x00B7;O interactions
;
_journal_coeditor_code           SJ5543
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              313
_journal_page_last               318
_journal_paper_doi               10.1107/S2056989018001251
_journal_volume                  74
_journal_year                    2018
_chemical_formula_moiety         'C14 H13 Cl N2 O S'
_chemical_formula_sum            'C14 H13 Cl N2 O S'
_chemical_formula_weight         292.77
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
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_cell_angle_beta                 97.510(2)
_cell_angle_gamma                90
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_cell_length_c                   10.1592(7)
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_cell_measurement_temperature    100(2)
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_computing_cell_refinement
;
CrystalClear (Rigaku, 2012)
;
_computing_data_collection
;
CrystalClear (Rigaku, 2012)
;
_computing_data_reduction
;
CrystalClear (Rigaku, 2012)
;
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;
ORTEP-3 (Farrugia, 1997)
;
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publCIF (Westrip, 2010)
;
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SHELXL2014 (Sheldrick, 2015)
;
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;
SHELXS97 (Sheldrick, 2008)
;
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_diffrn_measurement_device_type  'Rigaku Mercury CCD'
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_diffrn_reflns_limit_h_min       -7
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_diffrn_reflns_limit_k_min       -25
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_diffrn_reflns_limit_l_min       -12
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.496
_diffrn_reflns_theta_min         2.849
_exptl_absorpt_coefficient_mu    0.421
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.843
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2004)
;
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_exptl_crystal_size_min          0.10
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_refine_diff_density_min         -0.402
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         3165
_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0351
_refine_ls_R_factor_gt           0.0329
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0494P)^2^+0.4663P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0898
_refine_ls_wR_factor_ref         0.0912
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_reflns_threshold_expression     'I > 2\s(I)'
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