#------------------------------------------------------------------------------ #$Date$ #$Revision$ #$URL$ #------------------------------------------------------------------------------ # # 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_5900004 _journal_name_full Strukturbericht _journal_page_first 660 _journal_volume 3 _chemical_formula_sum 'C2 H6 N2 O' _chemical_name_systematic Monomethylurea _symmetry_Int_Tables_number 19 _symmetry_space_group_name_H-M 'P 21 21 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 6.89 _cell_length_b 6.96 _cell_length_c 8.45 _[local]_cod_data_source_file 005_monomethylurea.cif _[local]_cod_data_source_block monomethylurea 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 4 a 0.35 0.04 0.07 C1 C 4 a 0.23 0.12 0.21 N1 N 4 a 0.20 0.14 0.37 H1 H 4 a 0.20 0.14 0.37 H2 H 4 a 0.20 0.14 0.37 N2 N 4 a 0.14 0.18 0.07 H3 H 4 a 0.14 0.18 0.07 C2 C 4 a 0.17 0.35 0.02 H4 H 4 a 0.17 0.35 0.02 H5 H 4 a 0.17 0.35 0.02 H6 H 4 a 0.17 0.35 0.02 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance C O 1.55 C NH2 1.38 C NH 1.39 NH CH3 1.28 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\