Different patterns of supramolecular assembly in constitutionally similar 6-arylimidazo[2,1-b][1,3,4]thiadiazoles.
Praveen, Aletti S.; Yathirajan, Hemmige S.; Kaur, Manpreet; Narayana, Badiadka; Hosten, Eric C.; Betz, Richard; Glidewell, Christopher; Acta crystallographica. Section C, Structural chemistry 70 (2014) 920–926; doi:10.1107/S2053229614018762

data_2311839
_publ_section_title
;
 Different patterns of supramolecular assembly in constitutionally similar
 6-arylimidazo[2,1-b][1,3,4]thiadiazoles.
;
_journal_coeditor_code           SK3560
_journal_issue                   'Pt 9'
_journal_name_full
'Acta crystallographica. Section C, Structural chemistry'
_journal_page_first              920
_journal_page_last               926
_journal_paper_doi               10.1107/S2053229614018762
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          'C12 H10 F N3 O S'
_chemical_formula_moiety         'C12 H10 F N3 O S'
_chemical_formula_sum            'C12 H10 F N3 O S'
_chemical_formula_weight         263.29
_chemical_name_systematic
;
6-(4-Fluoro-3-methoxyphenyl)-2-methylimidazo[2,1-<i>b</i>][1,3,4]thiadiazole
;
_space_group_crystal_system      triclinic
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_cell_measurement_theta_min      2.183
_cell_volume                     1149.69(7)
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'SHELXL2014 (Sheldrick, 2014) and PLATON(Spek, 2009'
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_diffrn_ambient_temperature      200(2)
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_diffrn_measurement_method       '\f and \w scans'
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_diffrn_reflns_theta_max         28.351
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_exptl_absorpt_coefficient_mu    0.285
_exptl_absorpt_correction_T_max  0.957
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_exptl_absorpt_process_details
;
(SADABS; Sheldrick, 2003)
;
_exptl_crystal_colour            colourless
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_exptl_crystal_size_min          0.156
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_refine_diff_density_min         -0.239
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_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0447
_refine_ls_R_factor_gt           0.0356
_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^)+(0.0578P)^2^+0.3149P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     I>2\s(I)
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