#------------------------------------------------------------------------------
#$Date: 2010-03-05 20:15:21 +0200 (Fri, 05 Mar 2010) $
#$Revision: 1024 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2225139.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2225139_Fobs
loop_
_publ_author_name
'Akonan, Ludovic'
'Molou, Kouassi Yves Guillaume'
'Adohi-Krou, Adjo'
'Abou, Akoun'
'Tenon, Abodou Jules'
_publ_section_title
;
 2-[2-(Methylsulfanyl)benzimidazol-1-yl]ethanol
;
_journal_coeditor_code           WN2372
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o442
_journal_volume                  66
_journal_year                    2010
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             09-07-14
_audit_creation_method           CRYSTALS
_cell_angle_alpha                78.0849(9)
_cell_angle_beta                 88.9066(8)
_cell_angle_gamma                88.1399(9)
_cell_length_a                   9.3235(2)
_cell_length_b                   9.7659(2)
_cell_length_c                   11.4588(3)
_[local]_cod_data_source_file    wn2372Isup2.hkl
_[local]_cod_data_source_block   I
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_meas
_refln_F_squared_calc
_refln_F_squared_sigma
_refln_observed_status
1 0 0 3.30 0.00 1.30 x
2 0 0 6676.10 7372.01 206.30 o
3 0 0 9965.00 10445.28 284.50 o
4 0 0 1714.10 1741.76 43.40 o
5 0 0 7649.90 7560.99 188.40 o
6 0 0 7341.40 7687.00 170.90 o
7 0 0 568.40 681.31 18.40 o
8 0 0 989.60 999.79 29.50 o
9 0 0 2891.80 2840.34 71.50 o
10 0 0 323.00 382.88 19.20 o
11 0 0 178.40 155.28 21.30 o
12 0 0 891.40 739.84 80.60 o
-12 1 0 345.00 277.77 59.30 o
-11 1 0 76.80 70.59 19.40 o
-10 1 0 69.40 63.87 16.40 o
-9 1 0 86.00 101.91 7.50 o
-8 1 0 1352.50 1481.71 38.20 o
-7 1 0 4684.60 4374.81 110.90 o
-6 1 0 3472.20 3619.45 75.60 o
-5 1 0 15065.00 14070.80 379.60 o
-4 1 0 2766.20 2691.16 89.90 o
-3 1 0 3962.20 3738.78 118.70 o
-2 1 0 8916.20 9285.80 249.90 o
-1 1 0 33.50 0.00 2.20 x
0 1 0 0.20 0.00 0.45 x
1 1 0 0.00 0.00 0.01 x
2 1 0 4663.20 4630.47 115.30 o
3 1 0 5582.90 5453.06 130.60 o
4 1 0 11406.10 11581.03 240.90 o
5 1 0 4.30 2.94 4.70 o
6 1 0 1222.20 1332.88 33.50 o
7 1 0 902.10 1005.89 27.60 o
8 1 0 2396.00 2301.09 60.10 o
9 1 0 10.90 5.88 10.70 o
10 1 0 2514.90 2473.16 74.10 o
11 1 0 70.30 90.56 36.00 o
12 1 0 41.90 89.74 42.30 o
-12 2 0 493.40 408.82 71.40 o
-11 2 0 459.00 414.37 37.20 o
-10 2 0 119.90 147.22 19.40 o
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-7 2 0 219.50 168.56 14.40 o
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0 2 0 1174.40 1345.34 18.80 o
1 2 0 129.40 149.47 3.80 o
2 2 0 1865.90 2067.55 39.10 o
3 2 0 10.80 2.18 3.50 o
4 2 0 24025.10 24638.46 483.50 o
5 2 0 11365.50 11097.36 239.50 o
6 2 0 472.10 400.17 17.60 o
7 2 0 1640.10 1668.15 47.40 o
8 2 0 747.80 690.76 26.70 o
9 2 0 710.30 758.88 28.90 o
10 2 0 1840.70 1740.84 59.80 o
11 2 0 451.00 346.32 52.90 o
12 2 0 178.80 170.80 41.60 o
-12 3 0 -20.30 3.42 53.90 o
-11 3 0 61.00 55.82 23.70 o
-10 3 0 2.80 2.32 16.40 o
-9 3 0 -5.10 25.91 12.90 o
-8 3 0 1944.00 1907.19 39.30 o
-7 3 0 6704.00 6585.78 159.20 o
-6 3 0 603.30 541.73 23.20 o
-5 3 0 363.70 405.57 14.00 o
-4 3 0 496.80 557.66 13.80 o
-3 3 0 434.90 373.53 11.50 o
-2 3 0 15111.50 15627.01 233.90 o
-1 3 0 7677.50 8746.96 123.10 o
0 3 0 8533.00 8623.46 153.60 o
1 3 0 31059.70 31278.69 1014.60 o
2 3 0 8050.30 8062.70 175.50 o
3 3 0 2020.40 2203.11 40.40 o
4 3 0 438.40 529.69 13.10 o
5 3 0 4750.80 5010.16 110.10 o
6 3 0 169.10 185.54 11.60 o
7 3 0 338.40 365.88 16.30 o
8 3 0 796.20 701.66 26.30 o
9 3 0 1846.60 1827.24 58.60 o
10 3 0 3.80 0.20 11.20 o
11 3 0 760.20 832.83 66.70 o
12 3 0 306.80 346.76 60.50 o
-11 4 0 37.00 68.24 22.50 o
-10 4 0 99.50 121.79 17.80 o
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-7 4 0 1090.30 1003.07 25.30 o
-6 4 0 803.40 806.67 18.20 o
-5 4 0 1442.80 1374.96 31.60 o
-4 4 0 1603.00 1484.80 30.40 o
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-1 4 0 1264.90 1186.98 22.60 o
0 4 0 3822.60 3903.92 62.60 o
1 4 0 2572.60 2856.72 48.80 o
2 4 0 3066.30 3192.81 52.90 o
3 4 0 571.10 479.67 13.80 o
4 4 0 18701.80 18320.47 356.00 o
5 4 0 76.20 76.18 7.80 o
6 4 0 1017.60 963.80 26.90 o
7 4 0 1158.40 1228.91 34.30 o
8 4 0 1128.50 1174.20 34.60 o
9 4 0 47.80 62.36 14.90 o
10 4 0 61.60 48.91 17.10 o
11 4 0 16.90 0.36 34.80 o
12 4 0 -21.60 3.36 27.60 o
-11 5 0 249.70 208.80 58.00 o
-10 5 0 1259.80 1371.82 47.10 o
-9 5 0 78.40 91.91 16.60 o
-8 5 0 427.10 429.18 14.80 o
-7 5 0 445.40 491.24 15.60 o
-6 5 0 152.30 178.37 8.20 o
-5 5 0 1785.70 1760.29 36.70 o
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-3 5 0 179.30 135.13 7.00 o
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-1 5 0 12.10 3.57 3.00 o
0 5 0 1282.50 1332.10 21.40 o
1 5 0 646.40 677.08 12.70 o
2 5 0 1636.00 1765.04 30.50 o
3 5 0 988.90 1153.05 20.20 o
4 5 0 452.40 446.59 11.50 o
5 5 0 4426.60 4093.98 92.40 o
6 5 0 19.10 9.67 8.00 o
7 5 0 2604.80 2502.33 64.30 o
8 5 0 2321.60 2303.00 65.10 o
9 5 0 591.50 524.52 28.60 o
10 5 0 476.00 472.46 36.30 o
11 5 0 52.50 81.28 38.70 o
-11 6 0 250.70 171.79 60.80 o
-10 6 0 312.40 293.55 33.30 o
-9 6 0 1482.70 1388.25 52.10 o
-8 6 0 1.10 6.68 8.10 o
-7 6 0 77.30 111.71 9.00 o
-6 6 0 35.90 60.46 7.00 o
-5 6 0 2286.30 2477.65 48.20 o
-4 6 0 4170.40 4147.54 70.30 o
-3 6 0 391.90 405.76 9.60 o
-2 6 0 6045.20 5799.29 93.20 o
-1 6 0 509.90 458.92 11.60 o
0 6 0 420.30 379.00 10.40 o
1 6 0 6449.80 6442.86 142.90 o
2 6 0 7811.30 7592.65 126.30 o
3 6 0 747.60 759.80 16.90 o
4 6 0 1545.50 1533.40 29.10 o
5 6 0 1204.20 1167.57 25.60 o
6 6 0 194.40 178.02 10.50 o
7 6 0 816.50 826.28 25.10 o
8 6 0 315.20 301.99 16.20 o
9 6 0 52.30 46.85 13.90 o
10 6 0 88.60 158.34 18.00 o
11 6 0 52.50 69.78 37.10 o
-10 7 0 299.90 325.31 55.10 o
-9 7 0 303.50 278.70 23.50 o
-8 7 0 393.50 415.39 17.70 o
-7 7 0 299.20 345.76 14.80 o
-6 7 0 244.10 208.44 12.30 o
-5 7 0 2507.90 2484.39 48.70 o
-4 7 0 1985.20 1945.60 39.00 o
-3 7 0 1000.20 1007.33 21.10 o
-2 7 0 295.00 308.68 8.50 o
-1 7 0 1165.20 1120.02 24.60 o
0 7 0 859.60 917.88 16.80 o
1 7 0 1555.00 1552.27 40.30 o
2 7 0 24.30 27.40 12.10 o
3 7 0 349.90 330.11 10.30 o
4 7 0 65.40 51.71 5.20 o
5 7 0 1931.60 1832.45 38.40 o
6 7 0 1815.70 1871.24 41.10 o
7 7 0 580.20 551.45 21.60 o
8 7 0 16.70 1.03 10.80 o
9 7 0 21.20 9.92 13.70 o
10 7 0 70.70 64.39 24.50 o
-9 8 0 12.80 49.20 41.80 o
-8 8 0 26.90 38.97 15.50 o
-7 8 0 269.60 301.18 15.50 o
-6 8 0 113.10 138.05 10.80 o
-5 8 0 1011.20 1034.81 26.00 o
-4 8 0 388.30 397.99 16.70 o
-3 8 0 2090.40 1914.29 36.60 o
-2 8 0 48.10 63.93 6.10 o
-1 8 0 246.00 268.53 8.80 o
0 8 0 6060.40 5952.05 163.30 o
1 8 0 2889.10 2852.22 72.60 o
2 8 0 277.20 245.84 17.80 o
3 8 0 -2.80 8.91 12.90 o
4 8 0 242.80 263.38 7.70 o
5 8 0 405.50 397.08 13.60 o
6 8 0 3.10 11.04 7.20 o
7 8 0 751.50 718.49 25.10 o
8 8 0 21.20 20.61 13.70 o
9 8 0 16.70 15.99 19.10 o
10 8 0 5.80 76.59 24.60 o
-9 9 0 -40.80 12.25 38.90 o
-8 9 0 139.60 169.37 31.70 o
-7 9 0 159.00 147.92 18.20 o
-6 9 0 1284.80 1340.28 40.40 o
-5 9 0 2846.10 2715.29 64.50 o
-4 9 0 167.80 174.45 11.50 o
-3 9 0 148.10 170.93 10.30 o
-2 9 0 134.70 120.58 8.10 o
-1 9 0 64.90 70.82 4.80 o
0 9 0 1824.10 1736.83 51.80 o
1 9 0 897.00 888.81 31.80 o
2 9 0 8.00 9.75 8.50 o
3 9 0 194.00 183.88 18.00 o
4 9 0 288.20 341.21 28.30 o
5 9 0 83.90 52.19 20.10 o
6 9 0 390.60 327.57 19.10 o
7 9 0 1332.70 1138.77 46.10 o
8 9 0 42.80 48.44 17.50 o
-7 10 0 20.00 7.77 30.60 o
-6 10 0 16.70 2.14 16.60 o
-5 10 0 12.50 1.72 13.60 o
-4 10 0 404.60 403.46 20.30 o
-3 10 0 139.00 162.26 11.50 o
-2 10 0 420.70 409.63 15.10 o
-1 10 0 43.50 48.86 12.00 o
0 10 0 37.60 40.11 16.40 o
1 10 0 1068.80 966.34 42.00 o
2 10 0 526.80 515.38 26.60 o
3 10 0 10.50 16.17 14.80 o
4 10 0 760.50 792.08 36.50 o
5 10 0 -6.10 12.55 27.00 o
6 10 0 232.70 207.95 43.20 o
7 10 0 11.40 0.76 33.10 o
-5 11 0 -12.40 2.01 19.30 o
-4 11 0 46.40 43.03 18.70 o
-3 11 0 485.60 532.06 23.20 o
-2 11 0 178.80 173.33 20.80 o
-1 11 0 669.10 630.09 40.50 o
0 11 0 391.60 421.06 26.70 o
1 11 0 368.90 345.36 28.70 o
2 11 0 899.70 834.87 48.20 o
3 11 0 99.90 128.39 24.50 o
4 11 0 278.90 327.66 31.00 o
5 11 0 330.10 347.10 29.70 o
6 11 0 302.70 347.15 32.80 o
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-1 12 0 300.00 322.90 32.70 o
0 12 0 -15.00 15.22 30.90 o
1 12 0 132.90 122.53 32.50 o
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3 12 0 74.70 16.60 29.80 o
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0 -12 1 103.30 103.59 33.10 o
1 -12 1 136.60 187.71 26.20 o
2 -12 1 96.50 101.87 61.00 o
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-3 -11 1 443.80 421.79 36.40 o
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-1 -11 1 426.70 439.87 45.40 o
0 -11 1 112.10 143.71 20.10 o
1 -11 1 176.40 206.27 20.10 o
2 -11 1 116.00 125.60 12.20 o
3 -11 1 46.80 45.10 13.20 o
4 -11 1 794.90 741.54 42.20 o
5 -11 1 31.00 46.21 18.20 o
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-1 -10 1 756.50 820.40 33.40 o
0 -10 1 75.80 94.42 14.40 o
1 -10 1 320.20 293.06 10.80 o
2 -10 1 43.40 26.76 8.70 o
3 -10 1 956.60 901.90 26.70 o
4 -10 1 4.50 2.03 12.30 o
5 -10 1 67.50 130.47 19.40 o
6 -10 1 5.40 17.94 18.20 o
7 -10 1 236.00 333.13 33.00 o
-8 -9 1 28.40 20.33 15.50 o
-7 -9 1 5.00 0.36 13.10 o
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-2 -9 1 -0.40 0.11 16.44 o
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0 -9 1 21.10 18.79 3.00 o
1 -9 1 49.90 52.39 5.90 o
2 -9 1 3675.00 3516.03 70.80 o
3 -9 1 1062.20 1031.33 27.20 o
4 -9 1 438.40 369.25 19.60 o
5 -9 1 3.00 2.48 9.80 o
6 -9 1 57.20 33.61 13.00 o
7 -9 1 -21.20 10.45 23.30 o
8 -9 1 1.20 3.83 24.40 o
-9 -8 1 293.30 243.53 25.50 o
-8 -8 1 48.60 37.99 14.00 o
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-6 -8 1 146.60 183.72 10.70 o
-5 -8 1 1073.90 1050.82 27.60 o
-4 -8 1 1502.70 1464.19 31.50 o
-3 -8 1 5222.70 5224.39 93.20 o
-2 -8 1 128.50 155.93 15.60 o
-1 -8 1 547.80 517.46 12.20 o
0 -8 1 427.00 466.50 12.00 o
1 -8 1 -2.10 0.12 4.70 o
2 -8 1 104.50 154.00 7.60 o
3 -8 1 55.20 53.36 9.90 o
4 -8 1 524.00 517.41 17.60 o
5 -8 1 5.50 13.93 9.50 o
6 -8 1 298.40 293.91 17.20 o
7 -8 1 214.50 251.91 17.00 o
8 -8 1 14.30 27.46 20.90 o
9 -8 1 435.30 470.80 56.20 o
-10 -7 1 475.20 496.92 30.20 o
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-7 -7 1 23.90 17.16 9.70 o
-6 -7 1 -6.90 0.32 7.90 o
-5 -7 1 268.00 296.86 12.10 o
-4 -7 1 286.90 307.11 10.60 o
-3 -7 1 2301.50 2296.00 43.00 o
-2 -7 1 88.60 77.61 4.80 o
-1 -7 1 926.10 854.73 18.70 o
0 -7 1 4409.00 4246.31 70.80 o
1 -7 1 775.60 823.15 15.70 o
2 -7 1 1462.60 1507.07 29.90 o
3 -7 1 71.00 62.35 6.80 o
4 -7 1 1727.40 1619.27 38.10 o
5 -7 1 4.70 0.02 7.60 o
6 -7 1 36.40 37.67 8.40 o
7 -7 1 435.50 407.01 16.70 o
8 -7 1 10.90 15.92 12.60 o
9 -7 1 32.50 29.94 26.40 o
10 -7 1 24.60 12.87 45.20 o
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-6 -5 1 1715.50 1639.11 45.00 o
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0 -5 1 2738.60 2860.30 42.00 o
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0 -3 1 732.20 889.43 13.40 o
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2 -3 1 1408.80 1449.07 24.90 o
3 -3 1 154.50 117.75 5.80 o
4 -3 1 567.60 349.91 12.70 o
5 -3 1 10707.00 10981.77 171.00 o
6 -3 1 2580.00 2379.16 51.80 o
7 -3 1 59.00 53.86 11.80 o
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9 -3 1 285.20 338.95 22.70 o
10 -3 1 12.00 1.26 15.20 o
11 -3 1 571.10 504.95 38.00 o
12 -3 1 336.20 361.19 62.60 o
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