data_2003684
_journal_name_full   'Acta Crystallographica'
_journal_year        1995
_journal_volume    	C51
_journal_page_first    	1381
_journal_page_last    	1382
_publ_section_title    	
;
2-Aminoanthraquinone at 295 K
;
_chemical_formula_sum    	'C14 H9 N O2'
_chemical_formula_weight    	223.2
loop_
    _symmetry_equiv_pos_as_xyz
    'x,y,z'
    'x,1/2-y,1/2+z'
    '-x,-y,-z'
    '-x,1/2+y,1/2-z'
_symmetry_space_group_name_H-M    	'P 21/c'
_cell_length_a    	8.082(2)
_cell_length_b    	3.954(1)
_cell_length_c    	16.103(3)
_cell_angle_alpha    	90
_cell_angle_beta    	98.54(3)
_cell_angle_gamma    	90
_cell_volume    	508.9
_cell_formula_units_Z    	2
_exptl_crystal_density_diffrn    	1.457
_exptl_crystal_density_meas    	1.45
_exptl_crystal_density_method    	?
_diffrn_radiation_type    	'CuK\a'
_diffrn_radiation_wavelength    	1.54184
_cell_measurement_reflns_used    	20
_cell_measurement_theta_min    	20
_cell_measurement_theta_max    	35
_exptl_absorpt_coefficient_mu    	0.761
_cell_measurement_temperature    	295
_exptl_crystal_description    	'parallelepiped'
_exptl_crystal_size_max    	0.50
_exptl_crystal_size_mid    	0.35
_exptl_crystal_size_min    	0.30
_exptl_crystal_size_rad    	?
_exptl_crystal_colour    	'red'
_chemical_compound_source    	?
_diffrn_measurement_device    	'Kuma KM-4 computer-controlled four-circle \k-axi
_diffrn_measurement_method    	'\w/2\q'
_exptl_absorpt_correction_type    	'none'
_exptl_absorpt_correction_T_min    	?
_exptl_absorpt_correction_T_max    	?
_diffrn_reflns_number    	1664
_reflns_number_total    	936
_reflns_number_observed    	704
_reflns_observed_criterion    	F>4\s(F)
_diffrn_reflns_av_R_equivalents    	0.0345
_diffrn_reflns_theta_max    	75
_diffrn_reflns_limit_h_min    	-10
_diffrn_reflns_limit_h_max    	10
_diffrn_reflns_limit_k_min    	0
_diffrn_reflns_limit_k_max    	5
_diffrn_reflns_limit_l_min    	-20
_diffrn_reflns_limit_l_max    	20
_diffrn_standards_number    	2
_diffrn_standards_interval_count    	50
_diffrn_standards_interval_time    	?
_diffrn_standards_decay_%    	<1
_refine_ls_structure_factor_coef    	F
_refine_ls_R_factor_obs    	0.0616
_refine_ls_wR_factor_obs    	0.0563
_refine_ls_goodness_of_fit_obs    	0.55
_refine_ls_number_reflns    	704
_refine_ls_number_parameters    	103
_refine_ls_hydrogen_treatment    	?
_refine_ls_weighting_scheme    	'sigma'
_refine_ls_shift/esd_max    	0.017
_refine_diff_density_max    	0.15
_refine_diff_density_min    	-0.26
_refine_ls_extinction_method    	'none'
_refine_ls_extinction_coef    	?
_atom_type_scat_source    	'SHELXTL/PC (Sheldrick, 1990)'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    C(1) .3234(6) .2508(11) .5613(2) .066(2)
    C(2) .3537(6) .4057(11) .6392(3) .070(2)
    C(3) .2266(7) .4433(12) .6880(3) .074(2)
    C(4) .0704(6) .3259(11) .6582(2) .065(2)
    C(5) .0362(5) .1671(10) .5807(3) .056(1)
    C(6) .1658(5) .1303(10) .5316(2) .055(1)
    C(7) -.1330(5) .0377(11) .5517(2) .060(1)
    O(1) -.2444(4) .0648(9) .5950(2) .086(1)
    N(1) .4946(10) .498(2) .6688(6) .067(3)
    H(2) .454(12) .542(36) .653(10) .120
    H(3) .264(4) .556(9) .745(2) .062(11)
    H(1) .4048(34) .233(9) .5252(18) .051(10)
    H(4) -.021(4) .334(12) .694(2) .095(14)
    H(11) .559(11) .614(24) .637(6) .120
    H(12) .495(14) .659(19) .710(5) .120