#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005476.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_2005476
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year       1996
_journal_page_first    	2578
_journal_page_last    	2580
_publ_section_title
;
Maleimide
;
_chemical_formula_sum    	'C4 H3 N O2'
_chemical_formula_weight    	97.07
_symmetry_cell_setting    	Triclinic
loop_
_symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_symmetry_space_group_name_H-M    	'P -1'
_cell_length_a    	6.768(12)
_cell_length_b    	10.675(14)
_cell_length_c    	12.384(12)
_cell_angle_alpha    	81.37(5)
_cell_angle_beta    	77.01(5)
_cell_angle_gamma    	74.77(12)
_cell_volume    	837(2)
_cell_formula_units_Z    	8
_exptl_crystal_density_diffrn    	1.540
_cell_measurement_temperature    	150(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
    O1A 1 -0.0995(7) 0.3502(3) 0.8594(3) 0.0291(11)
    O2A 1 0.1138(7) 0.0146(4) 0.6421(3) 0.0345(13)
    N1A 1 0.0249(8) 0.2043(4) 0.7261(4) 0.0241(13)
    H1A 1 0.0714(8) 0.2565(4) 0.6697(4) 0.044(5)
    C1A 1 -0.0704(10) 0.2394(5) 0.8317(5) 0.0216(14)
    C2A 1 -0.1225(10) 0.1240(5) 0.8977(6) 0.030(2)
    H2A 1 -0.1882(10) 0.1195(5) 0.9740(6) 0.044(5)
    C3A 1 -0.0647(10) 0.0277(5) 0.8356(5) 0.027(2)
    H3A 1 -0.0843(10) -0.0578(5) 0.8592(5) 0.044(5)
    C4A 1 0.0354(10) 0.0714(6) 0.7235(6) 0.027(2)
    O1B 1 0.6025(7) 0.1191(3) 0.6459(4) 0.0337(12)
    O2B 1 0.4130(7) -0.2269(4) 0.8639(4) 0.0374(13)
    N1B 1 0.4956(8) -0.0363(4) 0.7790(4) 0.0249(13)
    H1B 1 0.4543(8) 0.0101(4) 0.8365(4) 0.044(5)
    C1B 1 0.5785(10) 0.0088(5) 0.6752(5) 0.0238(15)
    C2B 1 0.6310(10) -0.1030(5) 0.6056(6) 0.030(2)
    H2B 1 0.6933(10) -0.1024(5) 0.5287(6) 0.044(5)
    C3B 1 0.5747(10) -0.2026(5) 0.6708(5) 0.028(2)
    H3B 1 0.5908(10) -0.2863(5) 0.6479(5) 0.044(5)
    C4B 1 0.4841(10) -0.1652(6) 0.7832(5) 0.027(2)
    O1C 1 0.1847(7) 0.3908(3) 0.5596(3) 0.0337(12)
    O2C 1 -0.0204(7) 0.7264(4) 0.7791(4) 0.0379(13)
    N1C 1 0.0513(8) 0.5403(4) 0.6904(4) 0.0280(14)
    H1C 1 -0.0110(8) 0.4919(4) 0.7442(4) 0.044(5)
    C1C 1 0.1585(10) 0.5004(5) 0.5889(5) 0.029(2)
    C2C 1 0.2293(10) 0.6153(5) 0.5236(5) 0.027(2)
    H2C 1 0.3070(10) 0.6177(5) 0.4495(5) 0.044(5)
    C3C 1 0.1654(10) 0.7124(6) 0.5864(5) 0.031(2)
    H3C 1 0.1871(10) 0.7977(6) 0.5643(5) 0.044(5)
    C4C 1 0.0555(10) 0.6689(6) 0.6958(6) 0.029(2)
    O1D 1 0.3220(7) 0.1502(3) 0.9455(3) 0.0288(12)
    O2D 1 0.5291(7) 0.4913(4) 0.7226(4) 0.0356(13)
    N1D 1 0.4491(8) 0.2998(4) 0.8104(4) 0.0290(13)
    H1D 1 0.5053(8) 0.2497(4) 0.7558(4) 0.044(5)
    C1D 1 0.3476(10) 0.2595(6) 0.9160(5) 0.026(2)
    C2D 1 0.2758(10) 0.3770(5) 0.9775(5) 0.029(2)
    H2D 1 0.1993(10) 0.3811(5) 1.0518(5) 0.044(5)
    C3D 1 0.3360(9) 0.4753(5) 0.9119(5) 0.0254(15)
    H3D 1 0.3097(9) 0.5613(5) 0.9323(5) 0.044(5)
    C4D 1 0.4480(10) 0.4327(6) 0.8044(5) 0.026(2)
_cod_database_code 2005476