data_2005357
_journal_name_full  'Acta Crystallography'
_journal_year       1996
_journal_volume  C52
_journal_page_first  2359
_journal_page_last  2363
_publ_section_title
;
 The Anhydrous Racemate of the Carcinostatic Agent
 Cyclophosphamide and of the Bicyclic Degradation Product
 1-(2-Chloroethyl)tetrahydro-1H,5H-
 1,3,2-diazaphospholo[2,1-b][1,3,2]oxazaphosphorine 9-Oxide
;
_chemical_formula_sum  'C7 H14 Cl N2 O2 P'
_chemical_formula_weight  224.62
_symmetry_cell_setting  monoclinic
loop_
_symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x-1/2, -y-1/2, z-1/2'
_symmetry_space_group_name_H-M  'P 21/n'
_cell_length_a  10.580(2)
_cell_length_b  10.021(2)
_cell_length_c  10.779(2)
_cell_angle_alpha  90.00
_cell_angle_beta  118.95(2)
_cell_angle_gamma  90.00
_cell_volume  1000.0(3)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.492
_cell_measurement_temperature  143(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 P 1 0.26115(4) 0.45935(4) 0.59559(4) 0.0215(2)
 Cl 1 0.31770(6) 0.07054(5) 0.46014(6) 0.0435(2)
 O1 1 0.27983(14) 0.45715(12) 0.73967(12) 0.0309(3)
 O2 1 0.41448(12) 0.46983(11) 0.60014(12) 0.0274(3)
 N1 1 0.17690(14) 0.33446(13) 0.49115(13) 0.0245(3)
 N2 1 0.16172(15) 0.58055(13) 0.48746(14) 0.0244(3)
 C1 1 0.2351(2) 0.7103(2) 0.5084(2) 0.0306(4)
 H1A 1 0.2475(2) 0.7510(2) 0.5973(2) 0.037
 H1B 1 0.1730(2) 0.7704(2) 0.4292(2) 0.037
 C2 1 0.3825(2) 0.6996(2) 0.5160(2) 0.0337(4)
 H2A 1 0.3699(2) 0.6696(2) 0.4232(2) 0.040
 H2B 1 0.4290(2) 0.7886(2) 0.5365(2) 0.040
 C3 1 0.4785(2) 0.6026(2) 0.6295(2) 0.0323(4)
 H3A 1 0.5741(2) 0.5990(2) 0.6339(2) 0.039
 H3B 1 0.4929(2) 0.6336(2) 0.7227(2) 0.039
 C4 1 0.1535(2) 0.2104(2) 0.5469(2) 0.0269(4)
 H4A 1 0.0607(2) 0.2161(2) 0.5480(2) 0.032
 H4B 1 0.2313(2) 0.1992(2) 0.6460(2) 0.032
 C5 1 0.1507(2) 0.0898(2) 0.4626(2) 0.0287(4)
 H5A 1 0.0708(2) 0.0987(2) 0.3642(2) 0.034
 H5B 1 0.1324(2) 0.0091(2) 0.5045(2) 0.034
 C6 1 0.0617(2) 0.3804(2) 0.3527(2) 0.0290(4)
 H6A 1 -0.0341(2) 0.3693(2) 0.3469(2) 0.035
 H6B 1 0.0630(2) 0.3287(2) 0.2751(2) 0.035
 C7 1 0.0917(2) 0.5273(2) 0.3415(2) 0.0305(4)
 H7A 1 0.1562(2) 0.5372(2) 0.2994(2) 0.037
 H7B 1 0.0004(2) 0.5756(2) 0.2812(2) 0.037