Crystal structure and Hirshfeld surface analysis of 6-[4-(1-cyclo-hexyl-1<i>H</i>-tetra-zol-5-yl)but-oxy]-8-nitro-3,4-di-hydro-quinolin-2(1<i>H</i>)-one.
Dutta, Arnab; Dhasmana, Yogesh; Mohan, T. P.; Selvakumar, B.; Chopra, Deepak; Acta crystallographica. Section E, Crystallographic communications 81 (2025) 284–288; doi:10.1107/S2056989025001793

data_2312828
_publ_section_title
;
 Crystal structure and Hirshfeld surface analysis of
 6-[4-(1-cyclo-hexyl-1<i>H</i>-tetra-zol-5-yl)but-oxy]-8-nitro-3,4-di-hydro-quinolin-2(1<i>H</i>)-one.
;
_journal_coeditor_code           TX2094
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'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              284
_journal_page_last               288
_journal_paper_doi               10.1107/S2056989025001793
_journal_volume                  81
_journal_year                    2025
_chemical_formula_iupac          'C20 H26 N6 O4'
_chemical_formula_moiety         'C20 H26 N6 O4'
_chemical_formula_sum            'C20 H26 N6 O4'
_chemical_formula_weight         414.47
_chemical_name_systematic
6-[4-(1-Cyclohexyl-1<i>H</i>-tetrazol-5-yl)butoxy]-8-nitro-3,4-dihydroquinolin-2(1<i>H</i>)-one
_space_group_crystal_system      triclinic
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Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
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_cell_length_c                   17.382(2)
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SAINT V8.40B (Bruker, 2016)
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APEX2 (Bruker, 2016)
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SAINT V8.40B (Bruker, 2016)
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Olex2 1.5 (Dolomanov <i>et al.</i>,  2009)
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Olex2 1.5 (Dolomanov <i>et al.</i>,  2009)
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<i>SHELXL2018/3</i> (Sheldrick, 2015b)
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<i>SHELXT2018/2</i> (Sheldrick, 2015a)
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_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       '\w and \f scans'
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0674
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_exptl_absorpt_process_details
;
(SADABS; Krause <i>et al.</i>,  2015)
;
_exptl_crystal_colour            yellow
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0360P)^2^+1.0039P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
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_shelx_estimated_absorpt_t_max   0.995
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