Role of weak C—H···O and strong N—H···O intermolecular interactions on the high-symmetry molecular packing of <i>trans</i>-cyclohexane-1,4-dicarboxamide
García-Reyes, Fernando; Fantoni, Adolfo C.; Barón, Máximo; Romano, Rosana M.; Punte, Graciela M.; Echeverría, Gustavo A.; Acta Crystallographica Section C 74 (2018) 1068–1078; doi:10.1107/S2053229618011750

data_2021215
_publ_section_title
;
 Role of weak C---H&#x00B7;&#x00B7;&#x00B7;O and strong
 N---H&#x00B7;&#x00B7;&#x00B7;O intermolecular interactions on the
 high-symmetry molecular packing of
 <i>trans</i>-cyclohexane-1,4-dicarboxamide
;
_journal_coeditor_code           LY3070
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1068
_journal_page_last               1078
_journal_paper_doi               10.1107/S2053229618011750
_journal_volume                  74
_journal_year                    2018
_chemical_formula_iupac          'C8 H14 N2 O2'
_chemical_formula_sum            'C8 H14 N2 O2'
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_chemical_name_systematic
;
<i>trans</i>-Cyclohexane-1,4-dicarboxamide
;
_space_group_IT_number           96
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_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
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;
CrysAlis PRO (Agilent, 2014)
;
_computing_data_collection
;
CrysAlis PRO (Agilent, 2014)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2014)
;
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ORTEP-3 for Windows (Farrugia, 1997) and
Mercury (Macrae <i>et al.</i>,  2008)
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PLATON (Spek, 2009) and PARST (Nardelli, 1995) within
WinGX (Farrugia, 2012)
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SHELXL2014 (Sheldrick, 2015b)
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SHELXT (Sheldrick, 2015a)
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_diffrn_ambient_temperature      293(2)
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_diffrn_measurement_device_type  'Agilent Xcalibur Eos Gemini'
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_l_min       -11
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_diffrn_reflns_theta_full        67.684
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_exptl_absorpt_coefficient_mu    0.735
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;
(CrysAlis PRO; Agilent, 2014)
;
_exptl_crystal_colour            colourless
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;
Flack <i>x</i> determined using 278 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons <i>et al.</i>,  2013)
;
_refine_ls_abs_structure_Flack   -0.1(3)
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_refine_ls_number_reflns         890
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0469
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_refine_ls_shift/su_max          0
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0750P)^2^+0.1598P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_depositor_comments          'Adding full bibliography for 2021215.cif.'
_cod_original_cell_volume        915.02(6)
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