Ethyl <i>N</i>-[2-(4-phenoxyphenoxy)ethyl]carbamate
Karpinska, Jolanta; Kuhs, Manuel; Rasmuson, Ake; Erxleben, Andrea; McArdle, Patrick; Acta Crystallographica Section E 68 (2012) o2834–o2835; doi:10.1107/S1600536812037105

data_2236793
_publ_section_title
;
 Ethyl <i>N</i>-[2-(4-phenoxyphenoxy)ethyl]carbamate
;
_journal_coeditor_code           ZS2230
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2834
_journal_page_last               o2835
_journal_paper_doi               10.1107/S1600536812037105
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          'C17 H19 N O4'
_chemical_formula_moiety         'C17 H19 N O4'
_chemical_formula_sum            'C17 H19 N O4'
_chemical_formula_weight         301.33
_chemical_name_common            fenoxycarb
_chemical_name_systematic
;
Ethyl <i>N</i>-[2-(4-phenoxyphenoxy)ethyl]carbamate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                85.618(5)
_cell_angle_beta                 86.213(5)
_cell_angle_gamma                89.046(4)
_cell_formula_units_Z            4
_cell_length_a                   5.9035(3)
_cell_length_b                   7.5712(4)
_cell_length_c                   35.373(2)
_cell_measurement_reflns_used    2643
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.1498
_cell_measurement_theta_min      2.8213
_cell_volume                     1572.88(15)
_computing_cell_refinement
;
CrysAlis PRO (Oxford Diffraction, 2010)
;
_computing_data_collection
;
CrysAlis PRO (Oxford Diffraction, 2010)
;
_computing_data_reduction
;
CrysAlis PRO  (Oxford Diffraction, 2010)
;
_computing_molecular_graphics    'SORTX (McArdle, 1995)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 16.1048
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type
'Oxford Diffraction Xcalibur, Sapphire3 CCD-detector'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -42
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_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
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_exptl_absorpt_coefficient_mu    0.091
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.89432
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Oxford Diffraction, 2010)
;
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.273
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             640
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_exptl_crystal_size_mid          0.30
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_refine_ls_number_reflns         5745
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_refine_ls_restrained_S_all      0.966
_refine_ls_R_factor_all          0.1401
_refine_ls_R_factor_gt           0.0630
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0202P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     I>2\s(I)
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_cod_database_code               2236793
_cod_database_fobs_code          2236793