<i>N</i>-[4-(2-Morpholinoethoxy)phenyl]acetamide monohydrate
Gurumoorthy, Anuradha; Gopalsamy, Vasuki; K, Ramamurthi.; Piplani, Poonam; Malik, Ruchi; Acta Crystallographica Section E 67 (2011) o262–; doi:10.1107/S1600536810053675

data_2229120
_publ_section_title
;
 <i>N</i>-[4-(2-Morpholinoethoxy)phenyl]acetamide monohydrate
;
_journal_coeditor_code           JH2248
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o262
_journal_paper_doi               10.1107/S1600536810053675
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          'C14 H20 N2 O3, H2 O'
_chemical_formula_moiety         'C14 H20 N2 O3, H2 O'
_chemical_formula_sum            'C14 H22 N2 O4'
_chemical_formula_weight         282.34
_chemical_name_systematic
;
<i>N</i>-[4-(2-Morpholinoethoxy)phenyl]acetamide monohydrate
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                87.572(3)
_cell_angle_beta                 73.326(3)
_cell_angle_gamma                79.876(3)
_cell_formula_units_Z            2
_cell_length_a                   7.0560(3)
_cell_length_b                   10.2859(6)
_cell_length_c                   10.7234(6)
_cell_measurement_temperature    293(2)
_cell_volume                     733.92(7)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics
'PLATON (Spek, 2009) and ZORTEP (Zsolnai, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       multi-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0283
_diffrn_reflns_av_sigmaI/netI    0.0211
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            17239
_diffrn_reflns_theta_full        28.50
_diffrn_reflns_theta_max         28.50
_diffrn_reflns_theta_min         1.98
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  3600
_exptl_absorpt_coefficient_mu    0.094
_exptl_absorpt_correction_T_max  0.7052
_exptl_absorpt_correction_T_min  0.6028
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.278
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             304
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.195
_refine_diff_density_min         -0.193
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     194
_refine_ls_number_reflns         3723
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0620
_refine_ls_R_factor_gt           0.0444
_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^)+(0.0701P)^2^+0.1005P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1235
_refine_ls_wR_factor_ref         0.1384
_reflns_number_gt                2697
_reflns_number_total             3723
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            jh2248.cif
_cod_data_source_block           I
_cod_database_code               2229120
_cod_database_fobs_code          2229120