# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_Ek409
_database_code_depnum_ccdc_archive 'CCDC 1501115'
_audit_update_record             
;
2016-08-26 deposited with the CCDC.
2016-10-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXTL
_chemical_name_systematic        
'Butyl 5-(2-hydroxybenzoyl)-2-(phenylamino)nicotinate'
_chemical_name_common            ?
_chemical_melting_point          398
_chemical_formula_moiety         'C23 H22 N2 O4'
_chemical_formula_sum            'C23 H22 N2 O4'
_chemical_formula_weight         390.43

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c
_symmetry_space_group_name_Hall  '-P 2ybc'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.1869(5)
_cell_length_b                   14.4300(6)
_cell_length_c                   12.8949(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.9411(17)
_cell_angle_gamma                90.00
_cell_volume                     2039.18(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9946
_cell_measurement_theta_min      2.25
_cell_measurement_theta_max      26.94

_exptl_crystal_description       Block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.272
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             824
_exptl_absorpt_coefficient_mu    0.088
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.9818
_exptl_absorpt_correction_T_max  0.9939
_exptl_absorpt_process_details   'Bruker SADABS'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(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  'PHOTON 100 CMOS'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            73769
_diffrn_reflns_av_R_equivalents  0.0800
_diffrn_reflns_av_sigmaI/netI    0.0283
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.25
_diffrn_reflns_theta_max         28.35
_reflns_number_total             5091
_reflns_number_gt                3349
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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 > 2sigma(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)+(0.0476P)²+0.6674P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5091
_refine_ls_number_parameters     264
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0866
_refine_ls_R_factor_gt           0.0471
_refine_ls_wR_factor_ref         0.1242
_refine_ls_wR_factor_gt          0.1063
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_restrained_S_all      1.024
_refine_ls_shift/su_max          0.001
_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
C1 C 1.04933(13) 0.61320(11) 0.37116(12) 0.0337(3) Uani 1 1 d . . .
O1 O 1.16079(9) 0.59931(9) 0.41451(9) 0.0462(3) Uani 1 1 d . . .
C2 C 0.98799(13) 0.63287(10) 0.44466(12) 0.0323(3) Uani 1 1 d . . .
C3 C 1.04956(14) 0.61376(11) 0.56379(13) 0.0365(3) Uani 1 1 d . . .
O2 O 1.16490(10) 0.58121(9) 0.61396(9) 0.0487(3) Uani 1 1 d . . .
H2 H 1.1931 0.5809 0.5668 0.073 Uiso 1 1 calc R . .
C4 C 0.99134(16) 0.62754(12) 0.63381(14) 0.0451(4) Uani 1 1 d . . .
H4 H 1.0312 0.6131 0.7119 0.054 Uiso 1 1 calc R . .
C5 C 0.87520(17) 0.66239(12) 0.58836(15) 0.0479(4) Uani 1 1 d . . .
H5 H 0.8363 0.6702 0.6358 0.058 Uiso 1 1 calc R . .
C6 C 0.81466(15) 0.68624(12) 0.47273(15) 0.0439(4) Uani 1 1 d . . .
H6 H 0.7368 0.7117 0.4431 0.053 Uiso 1 1 calc R . .
C7 C 0.87123(14) 0.67171(11) 0.40248(13) 0.0380(4) Uani 1 1 d . . .
H7 H 0.8310 0.6881 0.3250 0.046 Uiso 1 1 calc R . .
C8 C 0.98070(13) 0.60753(11) 0.24395(12) 0.0315(3) Uani 1 1 d . . .
C9 C 1.04174(13) 0.62662(10) 0.17674(12) 0.0318(3) Uani 1 1 d . . .
H9 H 1.1222 0.6469 0.2121 0.038 Uiso 1 1 calc R . .
C10 C 0.98464(12) 0.61587(10) 0.05913(12) 0.0308(3) Uani 1 1 d . . .
C11 C 0.86102(13) 0.58445(10) 0.00805(12) 0.0310(3) Uani 1 1 d . . .
N1 N 0.80263(11) 0.56378(9) 0.07238(10) 0.0342(3) Uani 1 1 d . . .
C12 C 0.86194(13) 0.57484(11) 0.18599(12) 0.0344(3) Uani 1 1 d . . .
H12 H 0.8209 0.5596 0.2298 0.041 Uiso 1 1 calc R . .
C13 C 1.05095(13) 0.63431(10) -0.01111(13) 0.0332(3) Uani 1 1 d . . .
O3 O 1.00840(10) 0.62339(9) -0.11475(9) 0.0450(3) Uani 1 1 d . . .
O4 O 1.16398(9) 0.66322(8) 0.05204(9) 0.0410(3) Uani 1 1 d . . .
C14 C 1.24086(14) 0.67465(12) -0.00747(14) 0.0418(4) Uani 1 1 d . . .
H14A H 1.2044 0.7190 -0.0699 0.050 Uiso 1 1 calc R . .
H14B H 1.2499 0.6160 -0.0396 0.050 Uiso 1 1 calc R . .
C15 C 1.36253(15) 0.70880(13) 0.07890(16) 0.0472(4) Uani 1 1 d . . .
H15A H 1.3941 0.6671 0.1445 0.057 Uiso 1 1 calc R . .
H15B H 1.3530 0.7695 0.1062 0.057 Uiso 1 1 calc R . .
C16 C 1.45254(18) 0.71501(19) 0.0279(2) 0.0742(7) Uani 1 1 d . . .
H16A H 1.4584 0.6549 -0.0029 0.089 Uiso 1 1 calc R . .
H16B H 1.4220 0.7587 -0.0357 0.089 Uiso 1 1 calc R . .
C17 C 1.5775(2) 0.7448(2) 0.1129(2) 0.0935(9) Uani 1 1 d . . .
H17A H 1.5739 0.8070 0.1378 0.140 Uiso 1 1 calc R . .
H17B H 1.6319 0.7427 0.0771 0.140 Uiso 1 1 calc R . .
H17C H 1.6067 0.7040 0.1782 0.140 Uiso 1 1 calc R . .
N2 N 0.80053(11) 0.57247(9) -0.10759(10) 0.0375(3) Uani 1 1 d . . .
H2N H 0.8419 0.5851 -0.1454 0.045 Uiso 1 1 calc R . .
C18 C 0.67982(14) 0.54235(11) -0.17546(13) 0.0376(4) Uani 1 1 d . . .
C19 C 0.58402(15) 0.55899(14) -0.14797(15) 0.0510(5) Uani 1 1 d . . .
H19 H 0.5979 0.5892 -0.0796 0.061 Uiso 1 1 calc R . .
C20 C 0.46766(17) 0.53068(16) -0.22222(18) 0.0648(6) Uani 1 1 d . . .
H20 H 0.4033 0.5426 -0.2037 0.078 Uiso 1 1 calc R . .
C21 C 0.44554(19) 0.48533(15) -0.32265(18) 0.0670(6) Uani 1 1 d . . .
H21 H 0.3670 0.4658 -0.3716 0.080 Uiso 1 1 calc R . .
C22 C 0.54021(19) 0.46889(14) -0.35053(16) 0.0613(5) Uani 1 1 d . . .
H22 H 0.5256 0.4382 -0.4187 0.074 Uiso 1 1 calc R . .
C23 C 0.65754(16) 0.49768(12) -0.27789(13) 0.0469(4) Uani 1 1 d . . .
H23 H 0.7211 0.4870 -0.2979 0.056 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds 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
C1 O1 1.2384(17) 1 ?
C1 O1 1.2384(17) . ?
C1 C2 1.469(2) . ?
C1 C8 1.4821(19) . ?
C2 C7 1.399(2) . ?
C2 C3 1.411(2) . ?
C3 O2 1.3489(19) . ?
C3 C4 1.385(2) . ?
O2 H2 0.8200 . ?
C4 C5 1.369(2) . ?
C4 H4 0.9300 . ?
C5 C6 1.387(2) . ?
C5 H5 0.9300 . ?
C6 C7 1.373(2) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C12 1.389(2) . ?
C8 C9 1.3943(19) . ?
C9 C10 1.3729(19) . ?
C9 H9 0.9300 . ?
C10 C11 1.4286(19) . ?
C10 C13 1.4781(19) . ?
C11 N1 1.3415(18) . ?
C11 N2 1.3548(18) . ?
N1 C12 1.3295(18) . ?
C12 H12 0.9300 . ?
C13 O3 1.2139(17) 1 ?
C13 O3 1.2139(17) . ?
C13 O4 1.3240(17) . ?
O4 C14 1.4571(17) . ?
C14 C15 1.496(2) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.508(2) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C17 1.498(3) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
N2 C18 1.4115(19) . ?
N2 H2N 0.8600 . ?
C18 C19 1.381(2) . ?
C18 C23 1.386(2) . ?
C19 C20 1.381(2) . ?
C19 H19 0.9300 . ?
C20 C21 1.368(3) . ?
C20 H20 0.9300 . ?
C21 C22 1.371(3) . ?
C21 H21 0.9300 . ?
C22 C23 1.387(2) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?

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 C1 C2 120.49(13) 1 . ?
O1 C1 C2 120.49(13) . . ?
O1 C1 C8 117.85(13) 1 . ?
O1 C1 C8 117.85(13) . . ?
C2 C1 C8 121.65(13) . . ?
C7 C2 C3 117.88(13) . . ?
C7 C2 C1 123.00(13) . . ?
C3 C2 C1 119.11(13) . . ?
O2 C3 C4 117.44(14) . . ?
O2 C3 C2 122.45(13) . . ?
C4 C3 C2 120.11(15) . . ?
C3 O2 H2 109.5 . . ?
C5 C4 C3 120.15(15) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C4 C5 C6 121.03(15) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C7 C6 C5 119.13(16) . . ?
C7 C6 H6 120.4 . . ?
C5 C6 H6 120.4 . . ?
C6 C7 C2 121.56(15) . . ?
C6 C7 H7 119.2 . . ?
C2 C7 H7 119.2 . . ?
C12 C8 C9 116.50(13) . . ?
C12 C8 C1 124.40(13) . . ?
C9 C8 C1 118.74(13) . . ?
C10 C9 C8 120.92(13) . . ?
C10 C9 H9 119.5 . . ?
C8 C9 H9 119.5 . . ?
C9 C10 C11 117.89(12) . . ?
C9 C10 C13 120.52(13) . . ?
C11 C10 C13 121.57(13) . . ?
N1 C11 N2 118.15(13) . . ?
N1 C11 C10 121.54(12) . . ?
N2 C11 C10 120.29(13) . . ?
C12 N1 C11 118.35(12) . . ?
N1 C12 C8 124.74(13) . . ?
N1 C12 H12 117.6 . . ?
C8 C12 H12 117.6 . . ?
O3 C13 O4 123.12(13) 1 . ?
O3 C13 O4 123.12(13) . . ?
O3 C13 C10 124.51(14) 1 . ?
O3 C13 C10 124.51(14) . . ?
O4 C13 C10 112.36(12) . . ?
C13 O4 C14 116.58(12) . . ?
O4 C14 C15 107.55(13) . . ?
O4 C14 H14A 110.2 . . ?
C15 C14 H14A 110.2 . . ?
O4 C14 H14B 110.2 . . ?
C15 C14 H14B 110.2 . . ?
H14A C14 H14B 108.5 . . ?
C14 C15 C16 111.60(15) . . ?
C14 C15 H15A 109.3 . . ?
C16 C15 H15A 109.3 . . ?
C14 C15 H15B 109.3 . . ?
C16 C15 H15B 109.3 . . ?
H15A C15 H15B 108.0 . . ?
C17 C16 C15 113.48(19) . . ?
C17 C16 H16A 108.9 . . ?
C15 C16 H16A 108.9 . . ?
C17 C16 H16B 108.9 . . ?
C15 C16 H16B 108.9 . . ?
H16A C16 H16B 107.7 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C11 N2 C18 129.75(13) . . ?
C11 N2 H2N 115.1 . . ?
C18 N2 H2N 115.1 . . ?
C19 C18 C23 119.36(15) . . ?
C19 C18 N2 123.78(14) . . ?
C23 C18 N2 116.79(14) . . ?
C20 C19 C18 119.84(17) . . ?
C20 C19 H19 120.1 . . ?
C18 C19 H19 120.1 . . ?
C21 C20 C19 121.00(19) . . ?
C21 C20 H20 119.5 . . ?
C19 C20 H20 119.5 . . ?
C20 C21 C22 119.40(18) . . ?
C20 C21 H21 120.3 . . ?
C22 C21 H21 120.3 . . ?
C21 C22 C23 120.56(18) . . ?
C21 C22 H22 119.7 . . ?
C23 C22 H22 119.7 . . ?
C18 C23 C22 119.83(17) . . ?
C18 C23 H23 120.1 . . ?
C22 C23 H23 120.1 . . ?

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
C2 C1 O1 O1 0.00(11) . . . 1 ?
C8 C1 O1 O1 0.00(11) . . . 1 ?
O1 C1 C2 C7 163.29(15) 1 . . . ?
O1 C1 C2 C7 163.29(15) . . . . ?
C8 C1 C2 C7 -17.9(2) . . . . ?
O1 C1 C2 C3 -15.4(2) 1 . . . ?
O1 C1 C2 C3 -15.4(2) . . . . ?
C8 C1 C2 C3 163.44(14) . . . . ?
C7 C2 C3 O2 -176.20(14) . . . . ?
C1 C2 C3 O2 2.6(2) . . . . ?
C7 C2 C3 C4 4.4(2) . . . . ?
C1 C2 C3 C4 -176.89(14) . . . . ?
O2 C3 C4 C5 178.54(16) . . . . ?
C2 C3 C4 C5 -2.0(2) . . . . ?
C3 C4 C5 C6 -1.3(3) . . . . ?
C4 C5 C6 C7 2.1(3) . . . . ?
C5 C6 C7 C2 0.5(2) . . . . ?
C3 C2 C7 C6 -3.6(2) . . . . ?
C1 C2 C7 C6 177.68(15) . . . . ?
O1 C1 C8 C12 145.74(16) 1 . . . ?
O1 C1 C8 C12 145.74(16) . . . . ?
C2 C1 C8 C12 -33.1(2) . . . . ?
O1 C1 C8 C9 -27.1(2) 1 . . . ?
O1 C1 C8 C9 -27.1(2) . . . . ?
C2 C1 C8 C9 154.03(14) . . . . ?
C12 C8 C9 C10 1.9(2) . . . . ?
C1 C8 C9 C10 175.29(14) . . . . ?
C8 C9 C10 C11 -0.1(2) . . . . ?
C8 C9 C10 C13 -178.65(14) . . . . ?
C9 C10 C11 N1 -1.6(2) . . . . ?
C13 C10 C11 N1 176.99(13) . . . . ?
C9 C10 C11 N2 -179.83(14) . . . . ?
C13 C10 C11 N2 -1.3(2) . . . . ?
N2 C11 N1 C12 179.55(14) . . . . ?
C10 C11 N1 C12 1.2(2) . . . . ?
C11 N1 C12 C8 0.8(2) . . . . ?
C9 C8 C12 N1 -2.3(2) . . . . ?
C1 C8 C12 N1 -175.32(15) . . . . ?
C9 C10 C13 O3 177.33(15) . . . 1 ?
C11 C10 C13 O3 -1.2(2) . . . 1 ?
C9 C10 C13 O3 177.33(15) . . . . ?
C11 C10 C13 O3 -1.2(2) . . . . ?
C9 C10 C13 O4 -1.8(2) . . . . ?
C11 C10 C13 O4 179.71(13) . . . . ?
O4 C13 O3 O3 0.00(9) . . . 1 ?
C10 C13 O3 O3 0.00(5) . . . 1 ?
O3 C13 O4 C14 -4.9(2) 1 . . . ?
O3 C13 O4 C14 -4.9(2) . . . . ?
C10 C13 O4 C14 174.20(13) . . . . ?
C13 O4 C14 C15 179.14(14) . . . . ?
O4 C14 C15 C16 175.08(16) . . . . ?
C14 C15 C16 C17 -177.4(2) . . . . ?
N1 C11 N2 C18 1.6(2) . . . . ?
C10 C11 N2 C18 179.92(14) . . . . ?
C11 N2 C18 C19 31.3(3) . . . . ?
C11 N2 C18 C23 -151.97(16) . . . . ?
C23 C18 C19 C20 0.3(3) . . . . ?
N2 C18 C19 C20 176.97(18) . . . . ?
C18 C19 C20 C21 0.7(3) . . . . ?
C19 C20 C21 C22 -0.8(3) . . . . ?
C20 C21 C22 C23 0.1(3) . . . . ?
C19 C18 C23 C22 -1.1(3) . . . . ?
N2 C18 C23 C22 -177.96(16) . . . . ?
C21 C22 C23 C18 0.9(3) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O2 H2 O1 0.82 1.84 2.5637(15) 145.7 1
N2 H2N O3 0.86 1.97 2.6778(16) 139.0 1

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        28.35
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.255
_refine_diff_density_min         -0.214
_refine_diff_density_rms         0.042
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: hexane/ethyl acetate'
