data_1100182 _chemical_formula_sum 'C10 H10 Cl1 N1 O2' _chemical_formula_moiety ; C10 H10 Cl1 N1 O2 ; _journal_year 2000 _journal_page_first 287 _journal_name_full 'Chem.Commun.' loop_ _publ_author_name "T.Bach" "B.Schlummer" "K.Harms" _chemical_name_systematic ; threo-4-(Chloro(phenyl)methyl)-1,3-oxazolidin-2-one ; _cell_volume 944.112 _exptl_crystal_colour 'colorless' _exptl_crystal_density_diffrn 1.489 _exptl_crystal_description 'plate' _diffrn_ambient_temperature 213 _refine_ls_R_factor_gt 4.59 _refine_ls_wR_factor_gt 4.59 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/c' _symmetry_Int_Tables_number 14 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -x,1/2+y,1/2-z 3 -x,-y,-z 4 x,-1/2-y,-1/2+z _cell_length_a 7.8902(2) _cell_length_b 5.8375(3) _cell_length_c 20.5524(7) _cell_angle_alpha 90 _cell_angle_beta 94.175(4) _cell_angle_gamma 90 _cell_formula_units_Z 4 loop_ _atom_type_symbol _atom_type_radius_bond C 0.68 H 0.23 Cl 0.99 N 0.68 O 0.68 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Cl1 Cl 0.51420(6) 0.37874(10) 0.91426(3) O1 O 0.90458(19) 0.3620(3) 1.06105(7) N1 N 0.88553(19) 0.2441(4) 0.95366(8) C1 C 0.8494(2) 0.2388(4) 1.01657(9) O2 O 0.74148(17) 0.0648(3) 1.02684(6) C2 C 0.7122(3) -0.0645(4) 0.96675(10) C3 C 0.7841(2) 0.0859(4) 0.91370(9) C4 C 0.6434(2) 0.1948(4) 0.86765(9) C5 C 0.7028(2) 0.3185(4) 0.80906(9) C6 C 0.6672(2) 0.2221(4) 0.74783(10) C7 C 0.7180(3) 0.3322(5) 0.69242(11) C8 C 0.8020(2) 0.5390(5) 0.69764(11) C9 C 0.8403(3) 0.6349(5) 0.75884(12) C10 C 0.7906(3) 0.5255(4) 0.81417(11) H1 H 0.950(4) 0.362(5) 0.9416(14) H2 H 0.585(3) -0.092(4) 0.9572(11) H3 H 0.773(3) -0.214(5) 0.9734(10) H4 H 0.859(3) -0.001(4) 0.8867(10) H5 H 0.569(3) 0.060(4) 0.8530(11) H6 H 0.597(3) 0.077(5) 0.7429(12) H7 H 0.703(3) 0.263(5) 0.6532(13) H8 H 0.831(3) 0.611(5) 0.6617(14) H9 H 0.902(3) 0.780(5) 0.7617(11) H10 H 0.820(3) 0.590(5) 0.8578(14)