##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
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# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.4.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
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data_global
_audit_creation_method     'SHELXL97'
_journal_date_recd_electronic     2009-08-13
_journal_date_accepted     2009-09-13
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2009
_journal_volume     65
_journal_issue     11
_journal_page_first     m1295
_journal_page_last     m1295
_journal_paper_category     QM
_journal_coeditor_code     CV2598
_publ_contact_author_name     'Ning, Sheng'
_publ_contact_author_address
;
People's Republic of China
;
_publ_contact_author_email     'jn_sning@126.com'
_publ_contact_author_phone     '?'
_publ_section_title
;
Chlorido[2-methoxy-6-(2-pyridylmethyliminomethyl)phenolato]zinc(II)
;
loop_
    _publ_author_name
    _publ_author_address
    'Ning Sheng'
;
Department of Chemistry & Chemical Engineering
Jining University
Qufu 273155
People's Republic of China
;
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Chlorido[2-methoxy-6-(2-pyridylmethyliminomethyl)phenolato]zinc(II)
;
_chemical_name_common
;
;
_chemical_formula_moiety     'C14 H13 Cl N2 O2 Zn'
_chemical_formula_sum     'C14 H13 Cl N2 O2 Zn'
_chemical_formula_iupac     '[Zn (C14 H13 N2 O2) Cl]'
_chemical_formula_weight     342.08
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/c'
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     7.1013(5)
_cell_length_b     18.2673(14)
_cell_length_c     10.3241(8)
_cell_angle_alpha     90.00
_cell_angle_beta     104.7890(10)
_cell_angle_gamma     90.00
_cell_volume     1294.89(17)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     3850
_cell_measurement_theta_min     2.972
_cell_measurement_theta_max     26.022
_cell_measurement_temperature     293(2)
_exptl_crystal_description     block
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.31
_exptl_crystal_size_mid     0.25
_exptl_crystal_size_min     0.23
_exptl_crystal_density_diffrn     1.755
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     696
_exptl_absorpt_coefficient_mu     2.104
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 2003)'
_exptl_absorpt_correction_T_min     0.5616
_exptl_absorpt_correction_T_max     0.6432
_exptl_special_details
;
;
_diffrn_ambient_temperature     293(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker APEXII CCD area-detector'
_diffrn_measurement_method     'φ and ω scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     6845
_diffrn_reflns_av_R_equivalents     0.0165
_diffrn_reflns_av_sigmaI/netI     0.0202
_diffrn_reflns_theta_min     2.23
_diffrn_reflns_theta_max     26.00
_diffrn_reflns_theta_full     26.00
_diffrn_measured_fraction_theta_max     0.997
_diffrn_measured_fraction_theta_full     0.997
_diffrn_reflns_limit_h_min     -8
_diffrn_reflns_limit_h_max     8
_diffrn_reflns_limit_k_min     -18
_diffrn_reflns_limit_k_max     22
_diffrn_reflns_limit_l_min     -12
_diffrn_reflns_limit_l_max     10
_diffrn_standards_number     ?
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_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 >
σ(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.
;
_reflns_number_total     2538
_reflns_number_gt     2263
_reflns_threshold_expression     >2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0310
_refine_ls_R_factor_gt     0.0270
_refine_ls_wR_factor_gt     0.0794
_refine_ls_wR_factor_ref     0.0819
_refine_ls_goodness_of_fit_ref     1.057
_refine_ls_restrained_S_all     1.057
_refine_ls_number_reflns     2538
_refine_ls_number_parameters     182
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0487P)²+0.6563P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.006
_refine_ls_shift/su_mean     0.001
_refine_diff_density_max     0.356
_refine_diff_density_min     -0.311
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
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'
    'Zn' 'Zn' 0.2839 1.4301
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cl' 'Cl' 0.1484 0.1585
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'APEX2 (Bruker, 2004)'
_computing_cell_refinement     'SAINT-Plus (Bruker, 2001)'
_computing_data_reduction     'SAINT-Plus (Bruker, 2001)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'XP (Sheldrick, 1998)'
_computing_publication_material     'XP (Sheldrick, 1998)'
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Zn Zn1 0.33329(4) 0.484815(14) 0.11005(3) 0.02880(12) Uani d . 1 . .
    Cl Cl1 0.45273(10) 0.40303(3) 0.27143(6) 0.04062(17) Uani d . 1 . .
    O O1 0.2046(2) 0.40698(8) -0.00080(16) 0.0324(4) Uani d . 1 . .
    O O2 0.0568(3) 0.28355(9) -0.10946(17) 0.0389(4) Uani d . 1 . .
    N N1 0.4516(3) 0.57415(10) 0.21313(18) 0.0272(4) Uani d . 1 . .
    N N2 0.2579(3) 0.55672(10) -0.03049(19) 0.0276(4) Uani d . 1 . .
    C C1 0.0718(3) 0.47592(12) -0.2000(2) 0.0282(5) Uani d . 1 . .
    C C2 0.1050(3) 0.41075(12) -0.1239(2) 0.0265(5) Uani d . 1 . .
    C C3 0.0236(3) 0.34459(12) -0.1884(2) 0.0295(5) Uani d . 1 . .
    C C4 -0.0793(3) 0.34472(14) -0.3194(2) 0.0334(5) Uani d . 1 . .
    H H4 -0.1296 0.3011 -0.3605 0.040 Uiso calc R 1 . .
    C C5 -0.1094(3) 0.40998(15) -0.3922(2) 0.0356(5) Uani d . 1 . .
    H H5 -0.1803 0.4094 -0.4814 0.043 Uiso calc R 1 . .
    C C6 -0.0367(3) 0.47439(13) -0.3345(2) 0.0325(5) Uani d . 1 . .
    H H6 -0.0588 0.5175 -0.3840 0.039 Uiso calc R 1 . .
    C C7 0.1495(3) 0.54479(13) -0.1478(2) 0.0303(5) Uani d . 1 . .
    H H7 0.1183 0.5850 -0.2046 0.036 Uiso calc R 1 . .
    C C8 -0.0093(4) 0.21497(13) -0.1699(3) 0.0433(6) Uani d . 1 . .
    H H8A -0.1460 0.2180 -0.2128 0.065 Uiso calc R 1 . .
    H H8B 0.0128 0.1776 -0.1024 0.065 Uiso calc R 1 . .
    H H8C 0.0608 0.2032 -0.2353 0.065 Uiso calc R 1 . .
    C C9 0.4324(3) 0.63695(12) 0.1444(2) 0.0281(5) Uani d . 1 . .
    C C10 0.5065(3) 0.70331(13) 0.2015(3) 0.0340(5) Uani d . 1 . .
    H H10 0.4936 0.7456 0.1499 0.041 Uiso calc R 1 . .
    C C11 0.5983(4) 0.70499(14) 0.3345(3) 0.0388(6) Uani d . 1 . .
    H H11 0.6496 0.7484 0.3760 0.047 Uiso calc R 1 . .
    C C12 0.6133(4) 0.64061(15) 0.4060(3) 0.0393(6) Uani d . 1 . .
    H H12 0.6722 0.6406 0.4974 0.047 Uiso calc R 1 . .
    C C13 0.5419(3) 0.57673(14) 0.3432(2) 0.0338(5) Uani d . 1 . .
    H H13 0.5569 0.5337 0.3929 0.041 Uiso calc R 1 . .
    C C14 0.3226(4) 0.63242(12) 0.0026(2) 0.0325(5) Uani d . 1 . .
    H H14A 0.2104 0.6646 -0.0133 0.039 Uiso calc R 1 . .
    H H14B 0.4045 0.6481 -0.0543 0.039 Uiso calc R 1 . .
loop_
    _atom_site_aniso_label
    _atom_site_aniso_U_11
    _atom_site_aniso_U_22
    _atom_site_aniso_U_33
    _atom_site_aniso_U_12
    _atom_site_aniso_U_13
    _atom_site_aniso_U_23
    Zn1 0.03695(18) 0.02365(17) 0.02486(17) 0.00029(10) 0.00615(12) 0.00196(10)
    Cl1 0.0635(4) 0.0280(3) 0.0268(3) 0.0019(3) 0.0049(3) 0.0074(2)
    O1 0.0444(9) 0.0229(8) 0.0246(8) -0.0019(7) -0.0010(7) 0.0024(6)
    O2 0.0494(10) 0.0228(8) 0.0374(9) -0.0037(7) -0.0017(8) -0.0012(7)
    N1 0.0300(9) 0.0251(9) 0.0270(9) 0.0010(7) 0.0082(8) 0.0000(8)
    N2 0.0343(10) 0.0211(9) 0.0271(9) 0.0011(8) 0.0073(8) 0.0032(7)
    C1 0.0271(11) 0.0309(12) 0.0257(11) 0.0035(9) 0.0051(9) 0.0031(9)
    C2 0.0238(10) 0.0285(11) 0.0263(11) 0.0013(9) 0.0051(8) -0.0008(9)
    C3 0.0291(11) 0.0269(11) 0.0322(12) 0.0013(9) 0.0076(9) -0.0007(9)
    C4 0.0316(12) 0.0368(13) 0.0306(12) -0.0017(10) 0.0057(10) -0.0078(10)
    C5 0.0311(12) 0.0480(15) 0.0250(12) 0.0023(11) 0.0022(9) -0.0006(10)
    C6 0.0336(12) 0.0365(13) 0.0256(11) 0.0040(10) 0.0043(10) 0.0052(10)
    C7 0.0356(12) 0.0272(12) 0.0273(11) 0.0044(9) 0.0069(9) 0.0067(10)
    C8 0.0450(15) 0.0260(12) 0.0523(16) -0.0036(10) 0.0002(12) -0.0053(11)
    C9 0.0294(11) 0.0247(11) 0.0322(12) 0.0003(9) 0.0119(9) -0.0015(9)
    C10 0.0365(12) 0.0254(11) 0.0415(13) -0.0019(10) 0.0128(10) -0.0028(10)
    C11 0.0344(12) 0.0363(13) 0.0463(14) -0.0088(11) 0.0116(11) -0.0129(12)
    C12 0.0348(12) 0.0480(15) 0.0338(13) -0.0062(11) 0.0062(10) -0.0084(11)
    C13 0.0354(12) 0.0358(12) 0.0286(12) -0.0022(10) 0.0052(10) 0.0017(10)
    C14 0.0490(14) 0.0183(10) 0.0304(12) 0.0009(9) 0.0106(10) 0.0022(9)
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Zn1 O1 . 1.9059(16) y
    Zn1 N2 . 1.9288(18) y
    Zn1 N1 . 2.0112(19) y
    Zn1 Cl1 . 2.2373(6) y
    O1 C2 . 1.289(3) ?
    O2 C3 . 1.366(3) ?
    O2 C8 . 1.425(3) ?
    N1 C13 . 1.333(3) ?
    N1 C9 . 1.337(3) ?
    N2 C7 . 1.277(3) ?
    N2 C14 . 1.470(3) ?
    C1 C6 . 1.406(3) ?
    C1 C2 . 1.412(3) ?
    C1 C7 . 1.423(3) ?
    C2 C3 . 1.429(3) ?
    C3 C4 . 1.363(3) ?
    C4 C5 . 1.396(4) ?
    C4 H4 . 0.9300 ?
    C5 C6 . 1.360(4) ?
    C5 H5 . 0.9300 ?
    C6 H6 . 0.9300 ?
    C7 H7 . 0.9300 ?
    C8 H8A . 0.9600 ?
    C8 H8B . 0.9600 ?
    C8 H8C . 0.9600 ?
    C9 C10 . 1.391(3) ?
    C9 C14 . 1.475(3) ?
    C10 C11 . 1.362(4) ?
    C10 H10 . 0.9300 ?
    C11 C12 . 1.378(4) ?
    C11 H11 . 0.9300 ?
    C12 C13 . 1.368(4) ?
    C12 H12 . 0.9300 ?
    C13 H13 . 0.9300 ?
    C14 H14A . 0.9700 ?
    C14 H14B . 0.9700 ?
loop_
    _geom_contact_atom_site_label_1
    _geom_contact_atom_site_label_2
    _geom_contact_distance
    _geom_contact_site_symmetry_1
    _geom_contact_site_symmetry_2
    _geom_contact_publ_flag
    Cg1 Cg2 3.566(4) . 2_665 y
    Cg1 Cg2 3.767(7) . 2_565 y
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O1 Zn1 N2 . . 93.32(7) ?
    O1 Zn1 N1 . . 174.02(7) ?
    N2 Zn1 N1 . . 81.01(8) ?
    O1 Zn1 Cl1 . . 88.94(5) ?
    N2 Zn1 Cl1 . . 173.99(6) ?
    N1 Zn1 Cl1 . . 96.89(6) ?
    C2 O1 Zn1 . . 127.63(14) ?
    C3 O2 C8 . . 117.96(19) ?
    C13 N1 C9 . . 117.5(2) ?
    C13 N1 Zn1 . . 126.18(16) ?
    C9 N1 Zn1 . . 116.30(15) ?
    C7 N2 C14 . . 117.25(19) ?
    C7 N2 Zn1 . . 125.56(16) ?
    C14 N2 Zn1 . . 117.11(14) ?
    C6 C1 C2 . . 120.3(2) ?
    C6 C1 C7 . . 117.0(2) ?
    C2 C1 C7 . . 122.7(2) ?
    O1 C2 C1 . . 124.4(2) ?
    O1 C2 C3 . . 118.0(2) ?
    C1 C2 C3 . . 117.6(2) ?
    C4 C3 O2 . . 124.1(2) ?
    C4 C3 C2 . . 120.8(2) ?
    O2 C3 C2 . . 115.12(19) ?
    C3 C4 C5 . . 120.4(2) ?
    C3 C4 H4 . . 119.8 ?
    C5 C4 H4 . . 119.8 ?
    C6 C5 C4 . . 120.9(2) ?
    C6 C5 H5 . . 119.5 ?
    C4 C5 H5 . . 119.5 ?
    C5 C6 C1 . . 120.1(2) ?
    C5 C6 H6 . . 120.0 ?
    C1 C6 H6 . . 120.0 ?
    N2 C7 C1 . . 126.3(2) ?
    N2 C7 H7 . . 116.9 ?
    C1 C7 H7 . . 116.9 ?
    O2 C8 H8A . . 109.5 ?
    O2 C8 H8B . . 109.5 ?
    H8A C8 H8B . . 109.5 ?
    O2 C8 H8C . . 109.5 ?
    H8A C8 H8C . . 109.5 ?
    H8B C8 H8C . . 109.5 ?
    N1 C9 C10 . . 123.1(2) ?
    N1 C9 C14 . . 115.78(19) ?
    C10 C9 C14 . . 121.1(2) ?
    C11 C10 C9 . . 118.6(2) ?
    C11 C10 H10 . . 120.7 ?
    C9 C10 H10 . . 120.7 ?
    C10 C11 C12 . . 118.2(2) ?
    C10 C11 H11 . . 120.9 ?
    C12 C11 H11 . . 120.9 ?
    C13 C12 C11 . . 120.4(2) ?
    C13 C12 H12 . . 119.8 ?
    C11 C12 H12 . . 119.8 ?
    N1 C13 C12 . . 122.2(2) ?
    N1 C13 H13 . . 118.9 ?
    C12 C13 H13 . . 118.9 ?
    N2 C14 C9 . . 109.77(18) ?
    N2 C14 H14A . . 109.7 ?
    C9 C14 H14A . . 109.7 ?
    N2 C14 H14B . . 109.7 ?
    C9 C14 H14B . . 109.7 ?
    H14A C14 H14B . . 108.2 ?
