#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2004810.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_2004810
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year      1996
_journal_page_first    	957
_journal_page_last    	960
_publ_section_title
;
4-Methylbenzylammonium 4-Methylbenzylcarbamate
;
_chemical_formula_iupac    	'C8 H12 N 1+, C9 H10 N O2 1-'
_chemical_formula_moiety    	'C8 H12 N , C9 H10 N O2'
_chemical_formula_sum    	'C17 H22 N2 O2'
_chemical_formula_weight    	286.37
_symmetry_cell_setting    	triclinic
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
_symmetry_space_group_name_H-M    	'P 1'
_cell_length_a    	4.829(1)
_cell_length_b    	5.843(1)
_cell_length_c    	13.610(2)
_cell_angle_alpha    	83.39(1)
_cell_angle_beta    	86.16(1)
_cell_angle_gamma    	82.63(2)
_cell_volume    	377.8(1)
_cell_formula_units_Z    	1
_exptl_crystal_density_diffrn    	1.259
_cell_measurement_temperature    	293
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
C(1) -.2353(6) .2550(5) .4872(2) .028(1)
C(2) -.3443(7) .3031(6) .5807(3) .036(1)
C(3) -.5279(8) .1660(7) .6342(3) .039(1)
C(4) -.6084(7) -.0235(6) .5960(3) .033(1)
C(5) -.5028(7) -.0695(6) .5024(3) .035(1)
C(6) -.3167(7) .0662(6) .4488(3) .033(1)
C(7) -.8072(8) -.1733(7) .6551(3) .043(1)
C(8) -.0237(6) .4027(6) .4359(3) .032(1)
N(9) -.0179(5) .4261(5) .3258(2) .029(1)
C(1') 1.3388(7) 1.2736(6) .0674(2) .030(1)
C(2') 1.2894(8) 1.1248(6) -.0006(3) .040(1)
C(3') 1.0988(9) 1.2011(8) -.0736(3) .047(1)
C(4') .9561(8) 1.4247(7) -.0809(3) .043(1)
C(5') 1.0089(8) 1.5688(7) -.0128(3) .044(1)
C(6') 1.1982(8) 1.4947(6) .0594(3) .037(1)
C(7') .7451(10) 1.5040(11) -.1588(3) .066(2)
C(8') 1.5508(7) 1.2023(6) .1453(3) .032(1)
N(9') 1.5804(5) .9599(5) .1841(2) .031(1)
C(10') 1.3833(6) .8634(5) .2464(2) .024(1)
O(1') 1.1467(4) .9774(4) .2570(2) .032(1)
O(2') 1.4477(4) .6594(4) .2878(2) .031(1)
H(2) -.2931(7) .4295(6) .6078(3) .043
H(3) -.5980(8) .2018(7) .6966(3) .047
H(5) -.5575(7) -.1938(6) .4747(3) .042
H(6) -.2462(7) .0298(6) .3864(3) .039
H(73) -.7695(44) -.3290(14) .6373(17) .065
H(72) -.9962(9) -.1122(32) .6410(18) .065
H(71) -.7821(45) -.1739(43) .7245(3) .065
H(82) -.0620(6) .5565(6) .4576(3) .038
H(81) .1605(6) .3370(6) .4568(3) .038
H(91) -.1844(16) .490(4) .3055(2) .044
H(92) .112(4) .515(4) .3014(2) .044
H(93) .022(5) .2864(6) .3047(2) .044
H(2') 1.3831(8) .9750(6) .0025(3) .048
H(3') 1.0662(9) 1.1002(8) -.1184(3) .056
H(5') .9154(8) 1.7187(7) -.0155(3) .053
H(6') 1.2314(8) 1.5967(6) .1037(3) .044
H(73') .7551(61) 1.6645(21) -.1817(22) .044
H(72') .5606(13) 1.4853(70) -.1307(9) .099
H(71') .7859(54) 1.4125(49) -.2134(14) .099
H(82') 1.7315(7) 1.2402(6) .1174(3) .039
H(81') 1.4995(7) 1.2946(6) .2001(3) .039
H(9') 1.7289(5) .8726(5) .1671(2) .037
_cod_database_code 2004810