#------------------------------------------------------------------------------ #$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $ #$Revision: 26029 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000685.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2000685 loop_ _publ_author_name 'Busetti, V.' 'Crisma, M.' 'Toniolo, C.' _publ_section_title ; Structure of 1-[(benzyloxycarbonyl)amino]cyclopropane-1-carbohydroxamic acid ; _journal_issue 8 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 1464 _journal_page_last 1466 _journal_volume 48 _journal_year 1992 _chemical_formula_sum 'C12 H14 N2 O4' _chemical_formula_weight 250.25 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90 _cell_angle_beta 93.30(2) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 25.010(2) _cell_length_b 6.1440(10) _cell_length_c 8.1690(10) _cell_volume 1253.2(3) _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.71069 _exptl_absorpt_coefficient_mu 0.0943 _exptl_crystal_density_diffrn 1.326 _exptl_crystal_density_meas 1.32 _exptl_crystal_F_000 528 _[local]_cod_data_source_file ge0293.cif _[local]_cod_data_source_block ge0293a _[local]_cod_cif_authors_sg_H-M 'P 21/n' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z C(1) .16056(9) .9397(4) .4343(3) C(2) .17290(10) .0674(5) .3020(3) C(3) .20730(10) .2411(6) .3213(4) C(4) .22980(10) .2923(5) .4730(5) C(5) .21750(10) .1687(6) .6074(4) C(6) .18350(10) .9927(5) .5874(3) C(7) .12420(10) .7486(5) .4042(3) O(1) .10980(6) .6625(3) .5583(2) C(8) .07587(9) .4933(4) .5508(3) O(2) .05965(7) .4073(3) .4243(2) N(1) .06170(8) .4357(3) .7008(2) C(9) .07880(9) .5462(4) .8489(3) C(10) .09060(10) .4093(4) .9995(3) C(11) .13530(10) .5144(4) .9174(3) C(12) .05523(9) .7651(4) .8769(3) O(3) .07282(7) .8792(3) .9933(2) N(2) .01539(8) .8260(3) .7749(2) O(4) -.00496(7) 1.0365(3) .7823(2) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance C(7) O(1) 1.430(3) O(1) C(8) 1.341(3) C(8) O(2) 1.209(3) C(8) N(1) 1.343(3) N(1) C(9) 1.431(3) C(9) C(10) 1.505(3) C(9) C(11) 1.503(3) C(9) C(12) 1.491(3) C(10) C(11) 1.484(4) C(12) O(3) 1.242(3) C(12) N(2) 1.316(3) N(2) O(4) 1.393(3) _cod_database_code 2000685