# Electronic Supplementary Material (ESI) for Green Chemistry.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_t+p-1
_audit_block_doi                 10.5517/cc13dww8
_database_code_depnum_ccdc_archive 'CCDC 1025290'
_audit_update_record             
;
2014-09-21 deposited with the CCDC.
2015-04-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
N1,N1-dimethyl-N4,2-ditosylbenzene-1,4-diamine
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C22 H24 N2 O4 S2'
_chemical_formula_weight         444.55

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P -1  '

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.1437(16)
_cell_length_b                   11.826(2)
_cell_length_c                   12.400(3)
_cell_angle_alpha                73.31(3)
_cell_angle_beta                 88.33(3)
_cell_angle_gamma                79.70(3)
_cell_volume                     1125.1(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       irregular
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.21
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.312
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             468
_exptl_absorpt_coefficient_mu    0.267
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Stoe IPDS-II'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9984
_diffrn_reflns_av_R_equivalents  0.1493
_diffrn_reflns_av_sigmaI/netI    0.1084
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.54
_diffrn_reflns_theta_max         25.00
_reflns_number_total             3961
_reflns_number_gt                2643
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       'X-AREA (Stoe & Cie, 2005)'
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2005)'
_computing_data_reduction        'X-AREA (Stoe & Cie, 2005)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2σ(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0745P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.087(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         3961
_refine_ls_number_parameters     276
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0698
_refine_ls_R_factor_gt           0.0526
_refine_ls_wR_factor_ref         0.1333
_refine_ls_wR_factor_gt          0.1283
_refine_ls_goodness_of_fit_ref   0.816
_refine_ls_restrained_S_all      0.816
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
S1 S 0.37610(8) -0.14181(6) 0.76421(6) 0.0491(2) Uani 1 1 d . . .
S2 S 0.00466(8) 0.26835(6) 0.94206(6) 0.0484(2) Uani 1 1 d . . .
O2 O 0.5081(2) -0.09754(19) 0.69568(18) 0.0605(6) Uani 1 1 d . . .
O4 O 0.0310(3) 0.31809(19) 1.03140(17) 0.0627(6) Uani 1 1 d . . .
O1 O 0.3693(3) -0.26703(18) 0.7961(2) 0.0672(6) Uani 1 1 d . . .
O3 O -0.1032(2) 0.18089(18) 0.96366(18) 0.0605(6) Uani 1 1 d . . .
N1 N 0.3838(3) -0.1066(2) 0.8831(2) 0.0491(6) Uani 1 1 d . . .
N2 N 0.2963(3) 0.3882(2) 0.8533(2) 0.0525(6) Uani 1 1 d . . .
C9 C 0.2150(3) 0.0773(2) 0.9074(2) 0.0443(6) Uani 1 1 d . . .
H9 H 0.1277 0.0360 0.9325 0.053 Uiso 1 1 calc R . .
C10 C 0.1978(3) 0.1979(2) 0.8999(2) 0.0422(6) Uani 1 1 d . . .
C2 C 0.0418(3) -0.1057(3) 0.7268(3) 0.0554(7) Uani 1 1 d . . .
H2 H 0.0458 -0.1814 0.7774 0.067 Uiso 1 1 calc R . .
C16 C -0.0788(3) 0.3837(2) 0.8223(2) 0.0481(7) Uani 1 1 d . . .
C1 C 0.1854(3) -0.0595(2) 0.6978(2) 0.0460(6) Uani 1 1 d . . .
C13 C 0.4938(3) 0.0809(3) 0.8405(2) 0.0535(7) Uani 1 1 d . . .
H13 H 0.5952 0.0412 0.8223 0.064 Uiso 1 1 calc R . .
C4 C -0.1165(4) 0.0759(3) 0.6047(3) 0.0575(8) Uani 1 1 d . . .
C8 C 0.3656(3) 0.0183(2) 0.8765(2) 0.0442(6) Uani 1 1 d . . .
C6 C 0.1816(4) 0.0522(3) 0.6227(3) 0.0572(8) Uani 1 1 d . . .
H6 H 0.2796 0.0824 0.6032 0.069 Uiso 1 1 calc R . .
C21 C -0.1159(4) 0.5006(3) 0.8272(3) 0.0630(8) Uani 1 1 d . . .
H21 H -0.0882 0.5204 0.8909 0.076 Uiso 1 1 calc R . .
C11 C 0.3247(3) 0.2634(2) 0.8611(2) 0.0461(6) Uani 1 1 d . . .
C17 C -0.1180(4) 0.3554(3) 0.7275(3) 0.0647(9) Uani 1 1 d . . .
H17 H -0.0940 0.2764 0.7250 0.078 Uiso 1 1 calc R . .
C12 C 0.4738(3) 0.2017(3) 0.8311(3) 0.0561(7) Uani 1 1 d . . .
H12 H 0.5609 0.2428 0.8044 0.067 Uiso 1 1 calc R . .
C3 C -0.1092(4) -0.0375(3) 0.6794(3) 0.0623(8) Uani 1 1 d . . .
H3 H -0.2069 -0.0683 0.6981 0.075 Uiso 1 1 calc R . .
C5 C 0.0291(4) 0.1189(3) 0.5767(3) 0.0625(8) Uani 1 1 d . . .
H5 H 0.0256 0.1943 0.5256 0.075 Uiso 1 1 calc R . .
C19 C -0.2351(4) 0.5617(3) 0.6401(3) 0.0662(9) Uani 1 1 d . . .
C20 C -0.1955(4) 0.5879(3) 0.7347(3) 0.0710(10) Uani 1 1 d . . .
H20 H -0.2225 0.6667 0.7376 0.085 Uiso 1 1 calc R . .
C7 C -0.2830(4) 0.1497(4) 0.5547(3) 0.0798(11) Uani 1 1 d . . .
H7A H -0.3706 0.1056 0.5838 0.120 Uiso 1 1 calc R . .
H7B H -0.2816 0.1664 0.4742 0.120 Uiso 1 1 calc R . .
H7C H -0.3021 0.2237 0.5743 0.120 Uiso 1 1 calc R . .
C18 C -0.1929(4) 0.4444(3) 0.6364(3) 0.0749(10) Uani 1 1 d . . .
H18 H -0.2157 0.4255 0.5712 0.090 Uiso 1 1 calc R . .
C14 C 0.3197(6) 0.4648(3) 0.7402(3) 0.0874(12) Uani 1 1 d . . .
H14A H 0.2990 0.5472 0.7404 0.131 Uiso 1 1 calc R . .
H14B H 0.2433 0.4536 0.6882 0.131 Uiso 1 1 calc R . .
H14C H 0.4322 0.4438 0.7178 0.131 Uiso 1 1 calc R . .
C15 C 0.3905(5) 0.4162(3) 0.9377(3) 0.0863(12) Uani 1 1 d . . .
H15A H 0.3665 0.5010 0.9283 0.129 Uiso 1 1 calc R . .
H15B H 0.5078 0.3918 0.9288 0.129 Uiso 1 1 calc R . .
H15C H 0.3592 0.3742 1.0116 0.129 Uiso 1 1 calc R . .
C22 C -0.3284(5) 0.6572(4) 0.5421(4) 0.1021(14) Uani 1 1 d . . .
H22A H -0.3452 0.6224 0.4831 0.153 Uiso 1 1 calc R . .
H22B H -0.2645 0.7200 0.5143 0.153 Uiso 1 1 calc R . .
H22C H -0.4346 0.6898 0.5665 0.153 Uiso 1 1 calc R . .
H1 H 0.318(4) -0.145(3) 0.932(2) 0.053(9) Uiso 1 1 d . . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
S1 O1 1.430(2) . ?
S1 O2 1.430(2) . ?
S1 N1 1.648(3) . ?
S1 C1 1.764(3) . ?
S2 O4 1.433(2) . ?
S2 O3 1.437(2) . ?
S2 C16 1.758(3) . ?
S2 C10 1.782(3) . ?
N1 C8 1.437(4) . ?
N1 H1 0.88(3) . ?
N2 C11 1.427(3) . ?
N2 C15 1.460(4) . ?
N2 C14 1.462(4) . ?
C9 C10 1.384(4) . ?
C9 C8 1.399(4) . ?
C9 H9 0.9300 . ?
C10 C11 1.394(4) . ?
C2 C1 1.373(4) . ?
C2 C3 1.387(4) . ?
C2 H2 0.9300 . ?
C16 C17 1.371(4) . ?
C16 C21 1.380(4) . ?
C1 C6 1.376(4) . ?
C13 C8 1.377(4) . ?
C13 C12 1.380(4) . ?
C13 H13 0.9300 . ?
C4 C5 1.369(5) . ?
C4 C3 1.386(5) . ?
C4 C7 1.516(4) . ?
C6 C5 1.387(4) . ?
C6 H6 0.9300 . ?
C21 C20 1.388(4) . ?
C21 H21 0.9300 . ?
C11 C12 1.400(4) . ?
C17 C18 1.373(4) . ?
C17 H17 0.9300 . ?
C12 H12 0.9300 . ?
C3 H3 0.9300 . ?
C5 H5 0.9300 . ?
C19 C20 1.357(5) . ?
C19 C18 1.382(5) . ?
C19 C22 1.513(5) . ?
C20 H20 0.9300 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C18 H18 0.9300 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 S1 O2 120.12(13) . . ?
O1 S1 N1 105.71(14) . . ?
O2 S1 N1 107.72(13) . . ?
O1 S1 C1 109.34(13) . . ?
O2 S1 C1 107.70(13) . . ?
N1 S1 C1 105.29(12) . . ?
O4 S2 O3 117.25(13) . . ?
O4 S2 C16 109.86(13) . . ?
O3 S2 C16 106.58(13) . . ?
O4 S2 C10 110.76(13) . . ?
O3 S2 C10 105.93(12) . . ?
C16 S2 C10 105.77(13) . . ?
C8 N1 S1 117.7(2) . . ?
C8 N1 H1 113.2(19) . . ?
S1 N1 H1 109.7(19) . . ?
C11 N2 C15 113.3(2) . . ?
C11 N2 C14 113.4(2) . . ?
C15 N2 C14 111.2(3) . . ?
C10 C9 C8 119.1(3) . . ?
C10 C9 H9 120.5 . . ?
C8 C9 H9 120.5 . . ?
C9 C10 C11 122.3(2) . . ?
C9 C10 S2 117.4(2) . . ?
C11 C10 S2 120.4(2) . . ?
C1 C2 C3 118.9(3) . . ?
C1 C2 H2 120.5 . . ?
C3 C2 H2 120.5 . . ?
C17 C16 C21 120.5(3) . . ?
C17 C16 S2 119.5(2) . . ?
C21 C16 S2 119.8(2) . . ?
C2 C1 C6 121.2(2) . . ?
C2 C1 S1 119.1(2) . . ?
C6 C1 S1 119.6(2) . . ?
C8 C13 C12 120.9(2) . . ?
C8 C13 H13 119.5 . . ?
C12 C13 H13 119.5 . . ?
C5 C4 C3 118.7(3) . . ?
C5 C4 C7 121.1(3) . . ?
C3 C4 C7 120.2(3) . . ?
C13 C8 C9 119.5(3) . . ?
C13 C8 N1 121.2(2) . . ?
C9 C8 N1 119.4(2) . . ?
C1 C6 C5 118.9(3) . . ?
C1 C6 H6 120.6 . . ?
C5 C6 H6 120.6 . . ?
C16 C21 C20 118.3(3) . . ?
C16 C21 H21 120.8 . . ?
C20 C21 H21 120.8 . . ?
C10 C11 C12 117.2(3) . . ?
C10 C11 N2 119.1(2) . . ?
C12 C11 N2 123.7(3) . . ?
C16 C17 C18 119.7(3) . . ?
C16 C17 H17 120.2 . . ?
C18 C17 H17 120.2 . . ?
C13 C12 C11 121.0(3) . . ?
C13 C12 H12 119.5 . . ?
C11 C12 H12 119.5 . . ?
C4 C3 C2 121.0(3) . . ?
C4 C3 H3 119.5 . . ?
C2 C3 H3 119.5 . . ?
C4 C5 C6 121.4(3) . . ?
C4 C5 H5 119.3 . . ?
C6 C5 H5 119.3 . . ?
C20 C19 C18 118.4(3) . . ?
C20 C19 C22 121.2(3) . . ?
C18 C19 C22 120.3(4) . . ?
C19 C20 C21 122.1(3) . . ?
C19 C20 H20 119.0 . . ?
C21 C20 H20 119.0 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C17 C18 C19 121.0(3) . . ?
C17 C18 H18 119.5 . . ?
C19 C18 H18 119.5 . . ?
N2 C14 H14A 109.5 . . ?
N2 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
N2 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N2 C15 H15A 109.5 . . ?
N2 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
N2 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 S1 N1 C8 -170.63(19) . . . . ?
O2 S1 N1 C8 59.8(2) . . . . ?
C1 S1 N1 C8 -54.9(2) . . . . ?
C8 C9 C10 C11 1.0(4) . . . . ?
C8 C9 C10 S2 -179.11(19) . . . . ?
O4 S2 C10 C9 121.3(2) . . . . ?
O3 S2 C10 C9 -6.8(2) . . . . ?
C16 S2 C10 C9 -119.7(2) . . . . ?
O4 S2 C10 C11 -58.7(2) . . . . ?
O3 S2 C10 C11 173.1(2) . . . . ?
C16 S2 C10 C11 60.2(2) . . . . ?
O4 S2 C16 C17 -178.2(2) . . . . ?
O3 S2 C16 C17 -50.2(3) . . . . ?
C10 S2 C16 C17 62.2(3) . . . . ?
O4 S2 C16 C21 -3.1(3) . . . . ?
O3 S2 C16 C21 124.9(2) . . . . ?
C10 S2 C16 C21 -122.6(2) . . . . ?
C3 C2 C1 C6 -0.3(4) . . . . ?
C3 C2 C1 S1 176.1(2) . . . . ?
O1 S1 C1 C2 28.9(3) . . . . ?
O2 S1 C1 C2 161.0(2) . . . . ?
N1 S1 C1 C2 -84.3(3) . . . . ?
O1 S1 C1 C6 -154.7(2) . . . . ?
O2 S1 C1 C6 -22.6(3) . . . . ?
N1 S1 C1 C6 92.2(3) . . . . ?
C12 C13 C8 C9 -2.0(4) . . . . ?
C12 C13 C8 N1 178.0(3) . . . . ?
C10 C9 C8 C13 0.6(4) . . . . ?
C10 C9 C8 N1 -179.4(2) . . . . ?
S1 N1 C8 C13 -75.2(3) . . . . ?
S1 N1 C8 C9 104.9(3) . . . . ?
C2 C1 C6 C5 0.4(4) . . . . ?
S1 C1 C6 C5 -175.9(2) . . . . ?
C17 C16 C21 C20 0.8(5) . . . . ?
S2 C16 C21 C20 -174.2(3) . . . . ?
C9 C10 C11 C12 -1.1(4) . . . . ?
S2 C10 C11 C12 179.0(2) . . . . ?
C9 C10 C11 N2 178.6(2) . . . . ?
S2 C10 C11 N2 -1.3(3) . . . . ?
C15 N2 C11 C10 108.9(3) . . . . ?
C14 N2 C11 C10 -123.0(3) . . . . ?
C15 N2 C11 C12 -71.5(4) . . . . ?
C14 N2 C11 C12 56.6(4) . . . . ?
C21 C16 C17 C18 0.8(5) . . . . ?
S2 C16 C17 C18 175.9(3) . . . . ?
C8 C13 C12 C11 1.9(4) . . . . ?
C10 C11 C12 C13 -0.4(4) . . . . ?
N2 C11 C12 C13 180.0(3) . . . . ?
C5 C4 C3 C2 1.3(5) . . . . ?
C7 C4 C3 C2 -179.4(3) . . . . ?
C1 C2 C3 C4 -0.6(5) . . . . ?
C3 C4 C5 C6 -1.1(5) . . . . ?
C7 C4 C5 C6 179.6(3) . . . . ?
C1 C6 C5 C4 0.2(5) . . . . ?
C18 C19 C20 C21 -0.6(5) . . . . ?
C22 C19 C20 C21 177.4(4) . . . . ?
C16 C21 C20 C19 -0.9(5) . . . . ?
C16 C17 C18 C19 -2.4(5) . . . . ?
C20 C19 C18 C17 2.3(5) . . . . ?
C22 C19 C18 C17 -175.7(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.298
_refine_diff_density_min         -0.507
_refine_diff_density_rms         0.063
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Methanol'
_chemical_properties_physical    Heat-sensitive
