#------------------------------------------------------------------------------ #$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $ #$Revision: 35911 $ #$URL: file:///home/coder/svn-repositories/cod/cif/5/90/00/5900015.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_5900015 _journal_name_full 'J. Am. Chem. Soc.' _journal_page_first 2008 _journal_volume 62 _journal_year 1940 _chemical_formula_sum 'C2 H5 N O' _chemical_name_systematic Aacetamide _symmetry_Int_Tables_number 161 _symmetry_space_group_name_H-M 'R 3 c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 18 _cell_length_a 11.44 _cell_length_b 11.44 _cell_length_c 13.49 _[local]_cod_data_source_file 016_acetamide.cif _[local]_cod_data_source_block acetamide loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z O O 18 b 0.225 -0.004 0 C1 C1 18 b 0.477 0.123 0.033 N N 18 b 0.333 -0.090 0.096 C2 C2 18 b 0.333 0.005 0.034 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance C1 C2 1.51(5) C2 O 1.28(5) C2 N 1.38(5) loop_ _geom_angle _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 129(5) C1 C2 O 122(5) O C2 N 109(5) N C2 C1 loop_ _citation_id _citation_coordinate_linkage _citation_title _citation_book_title _citation_country _citation_page_first _citation_page_last _citation_year _citation_book_publisher _[local]_cod_citation_special_details 1 yes ? 'Organicheskaja Kristallokhimija' USSR ? ? 1955 'Izdatel'stvo Akademii Nauk SSSR' ; Coordinates are presented as published in this book, Kitajgorodskij's "Organicheskaja Kristallokhimija", keyed in manually. Saulius Gra\