LMucko/crystallography-open-database huggingface dataset:
Crystal structure of bis[N,N'-bis(2-fluorobenzylidene)ethylenediamine] silver(I) 4-chlorobenzoate 4-chlorobenzoic acid, Ag(C~16~H~14~N~2~F~2~) ~2~(C~14~H~9~O~2~Cl~2~)
Ma, Ji-Long; Yang, Li; Chen, Bo; Zou, Ying; Meng, Fan-Jin; Zhu, Hai-Liang; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 161–162; doi:

data_8100056
_publ_section_title
;
Crystal structure of bis[N,N'-bis(2-fluorobenzylidene)ethylenediamine]
silver(I) 4-chlorobenzoate 4-chlorobenzoic acid, Ag(C~16~H~14~N~2~F~2~)
~2~(C~14~H~9~O~2~Cl~2~)
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              161
_journal_page_last               162
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C32 H28 Ag F4 N4, C14 H9 Cl2 O4'
_chemical_formula_sum            'C46 H37 Ag Cl2 F4 N4 O4'
_chemical_formula_weight         964.57
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   27.927(11)
_cell_length_b                   7.208(3)
_cell_length_c                   21.083(8)
_cell_measurement_temperature    298(2)
_cell_volume                     4244(3)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.510
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               8100056
Crystal structure of {1-benzyl-2-[(4-nitrobenzyl)sulfanyl]-1H-imidazol-5-yl}-methanol, C~18~H~17~N~3~O~3~S
Ramazani, Ali; Marandi, Farzin; Souldozi, Ali; Jalilian, Amir Reza; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 173–174; doi:10.1524/ncrs.2004.219.2.173

data_8100057
_publ_section_title
;
 Crystal structure of
 {1-benzyl-2-[(4-nitrobenzyl)sulfanyl]-1H-imidazol-5-yl}-methanol,
 C~18~H~17~N~3~O~3~S
;
_journal_coden_ASTM              ZKNSFT
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              173
_journal_page_last               174
_journal_paper_doi               10.1524/ncrs.2004.219.2.173
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C18 H17 N3 O3 S'
_chemical_formula_sum            'C18 H17 N3 O3 S'
_chemical_formula_weight         355.41
_chemical_melting_point          522
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 102.404(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.705(2)
_cell_length_b                   12.0830(16)
_cell_length_c                   9.3684(13)
_cell_measurement_temperature    120(2)
_cell_volume                     1736.3(4)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.360
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2020-10-02

The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100057
Crystal structure of dimethyl 1-acetyl-1,2-dihydro-2,3-quinolinedicarboxylate, C~15~H~15~NO~5~
Ramazani, Ali; Dolatyari, Leila; Kazemizadeh, Ali Reza; Souldozi, Ali; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 175–176; doi:10.1524/ncrs.2004.219.2.175

data_8100058
_publ_section_title
;
 Crystal structure of dimethyl 1-acetyl-1,2-dihydro-2,3-quinolinedicarboxylate, 
 C~15~H~15~NO~5~
;
_journal_coden_ASTM              ZKNSFT
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              175
_journal_page_last               176
_journal_paper_doi               10.1524/ncrs.2004.219.2.175
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         C~15~H~15~N~O~5~
_chemical_formula_sum            'C15 H15 N O5'
_chemical_formula_weight         289.28
_chemical_melting_point          322
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                68.640(4)
_cell_angle_beta                 81.328(4)
_cell_angle_gamma                85.050(4)
_cell_formula_units_Z            2
_cell_length_a                   7.3662(14)
_cell_length_b                   8.8837(17)
_cell_length_c                   11.242(2)
_cell_measurement_temperature    120(2)
_cell_volume                     676.9(2)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.419
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2020-10-02

The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_chemical_melting_point' value '322K' was changed to '322' - the
value should be numeric and without a unit designator.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               8100058
Crystal structure of [N,N-bis(2-[2-pyridyl]ethyl)-2-(2-aminoethoxy) ethanol]copper(II) bis(trifluoromethanesulfonate), (CuC~18~H~25~N~3~O~2~) (F~3~CSO~3~)~2~
Selmeczi, Katalin; Speier, Gábor; Réglier, Marius; Giorgi, Michel; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 143–144; doi:

data_8100059
_publ_section_title
;
Crystal structure of [N,N-bis(2-[2-pyridyl]ethyl)-2-(2-aminoethoxy)
ethanol]copper(II) bis(trifluoromethanesulfonate), (CuC~18~H~25~N~3~O~2~)
(F~3~CSO~3~)~2~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              143
_journal_page_last               144
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C20 H25 Cu F6 N3 O8 S2'
_chemical_formula_weight         677.09
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                75.539(3)
_cell_angle_beta                 84.980(5)
_cell_angle_gamma                82.435(5)
_cell_formula_units_Z            2
_cell_length_a                   8.0561(4)
_cell_length_b                   11.766(1)
_cell_length_c                   14.859(1)
_cell_measurement_temperature    293(2)
_cell_volume                     1349.7(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.666
_refine_diff_density_rms         0.072
_cod_database_code               8100059
Crystal structure of (1,4-cyclohexanedicarboxylato)(2,2'-bipyridine) copper(II) monohydrate, Cu(C~8~H~10~O~4~)(C~10~H~8~N~2~) · H~2~O
Ma, Ai-Qing; Yu, Ming-Xin; Zhu, Long-Guan; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 117–118; doi:

data_8100060
_publ_section_title
;
Crystal structure of (1,4-cyclohexanedicarboxylato)(2,2'-bipyridine)
copper(II) monohydrate, Cu(C~8~H~10~O~4~)(C~10~H~8~N~2~) &#x00B7; H~2~O
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              117
_journal_page_last               118
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C18 H18 Cu N2 O4,H2O'
_chemical_formula_sum            'C18 H20 Cu N2 O5'
_chemical_formula_weight         407.90
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 99.226(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.1432(4)
_cell_length_b                   17.8251(8)
_cell_length_c                   10.1994(5)
_cell_measurement_temperature    293(2)
_cell_volume                     1640.78(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.651
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100060
Crystal structure of 2,3-bis(2-cyanoethylthio)-6,7- vinylenedithiotetrathiafulvalene, C~14~H~10~N~2~S~8~
Xue, Gang; Yu, Wen-Tao; Fang, Qi; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 171–172; doi:

data_8100061
_publ_section_title
;
Crystal structure of 2,3-bis(2-cyanoethylthio)-6,7-
vinylenedithiotetrathiafulvalene, C~14~H~10~N~2~S~8~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              171
_journal_page_last               172
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C14 H10 N2 S8'
_chemical_formula_sum            'C14 H10 N2 S8'
_chemical_formula_weight         462.72
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                64.101(18)
_cell_angle_beta                 84.62(2)
_cell_angle_gamma                77.335(16)
_cell_formula_units_Z            2
_cell_length_a                   7.7531(16)
_cell_length_b                   11.403(3)
_cell_length_c                   12.371(5)
_cell_measurement_temperature    293(2)
_cell_volume                     960.0(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.601
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (28 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               8100061
Crystal structure of dimethyl 1,1-diacetyl-8a-hydroxy-8-oxo-1,2,8, 8a-tetrahydrocyclopenta[a]indene-2,3-dicarboxylate, C~20~H~18~O~8~
Ramazani, Ali; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 177–178; doi:

data_8100062
_publ_section_title
;
Crystal structure of dimethyl 1,1-diacetyl-8a-hydroxy-8-oxo-1,2,8,
8a-tetrahydrocyclopenta[a]indene-2,3-dicarboxylate, C~20~H~18~O~8~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              177
_journal_page_last               178
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C20 H18 O8'
_chemical_formula_weight         386.43
_chemical_melting_point          453
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   19.060(4)
_cell_length_b                   35.937(7)
_cell_length_c                   10.5708(19)
_cell_measurement_temperature    110(2)
_cell_volume                     7241(3)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.418
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'Orthorombic' was replaced with
'orthorhombic' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               8100062
Crystal structure of 2-hydroxyimino-3-oxo-3-phenyl-propionic acid ethyl ester, C~11~H~11~NO~4~
Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Lopes, Susana H.; Cabral, Ana M. T. D. P. V.; Rocha Gonsalves, A. M. d'A.; Sobral, Abilio J. F. N.; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 145–146; doi:

data_8100063
_publ_section_title
;
Crystal structure of 2-hydroxyimino-3-oxo-3-phenyl-propionic acid 
ethyl ester, C~11~H~11~NO~4~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              145
_journal_page_last               146
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C11 H11 N O4'
_chemical_formula_sum            'C11 H11 N O4'
_chemical_formula_weight         221.21
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.370(4)
_cell_length_b                   4.8704(13)
_cell_length_c                   24.616(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2202.4(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.334
_cod_database_code               8100063
Crystal structure of dimethyl (Z)-2(1,3-dioxo-1,3-di-hydro-2H-isoindol- 2-yl)-2-butenedioate, C~14~H~11~NO~6~
Ramazani, Ali; Marandi, Farzin; Ahmadi, Ebrahim; Morsali, Ali; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 179–180; doi:

data_8100064
_publ_section_title
;
Crystal structure of dimethyl (Z)-2(1,3-dioxo-1,3-di-hydro-2H-isoindol-
2-yl)-2-butenedioate, C~14~H~11~NO~6~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              179
_journal_page_last               180
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C14 H11 N O6'
_chemical_formula_sum            'C14 H11 N O6'
_chemical_formula_weight         289.24
_chemical_melting_point          377
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 101.69(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.0682(16)
_cell_length_b                   9.6792(19)
_cell_length_c                   16.961(3)
_cell_measurement_temperature    120(2)
_cell_volume                     1297.1(4)
_diffrn_ambient_temperature      120(2)
_exptl_crystal_density_diffrn    1.481
_cod_depositor_comments
;
Removing extra entries of author names, fixing a typo in the journal name 
and article name. Authors publication page at 
http://www.modares.ac.ir/en/Schools/sci/Academic_Staff/~morsali_a/3
was consulted.
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100064
Crystal structure of diaquatetra(3,5-dinitrobenzoato)tetrasilver(I), Ag~4~(C~7~H~3~N~2~O~6~)~4~(H~2~O)~2~
Xia, Jun; Wang, Zao-Gui; Yang, Li; Tang, Lu-Lu; Zhu, Hai-Liang; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 163–164; doi:

data_8100065
_publ_section_title
;
Crystal structure of diaquatetra(3,5-dinitrobenzoato)tetrasilver(I), 
Ag~4~(C~7~H~3~N~2~O~6~)~4~(H~2~O)~2~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              163
_journal_page_last               164
_journal_volume                  219
_journal_year                    2004
_chemical_formula_sum            'C28 H16 Ag4 N8 O26'
_chemical_formula_weight         1311.97
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.38(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   5.6670(10)
_cell_length_b                   16.915(3)
_cell_length_c                   19.694(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1887.8(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.308
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100065
Crystal structure of catena-bis-μ-terephthalato[2,2'-bipyridinecobalt (II)][aqua-2,2'-bipyridinecobalt(II)], Co~2~(C~8~H~4~O~4~)~2~(C~10~H~8~N~2~) ~2~(H~2~O)
Hu, Mao-Lin; Yuan, Ji-Xin; Ye, Ming-De; Xiao, Hong-Ping; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 168–170; doi:

data_8100066
_publ_section_title
;
Crystal structure of catena-bis-\m-terephthalato[2,2'-bipyridinecobalt
(II)][aqua-2,2'-bipyridinecobalt(II)], Co~2~(C~8~H~4~O~4~)~2~(C~10~H~8~N~2~)
~2~(H~2~O)
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              168
_journal_page_last               170
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C36 H26 Co2 N4 O9'
_chemical_formula_sum            'C36 H26 Co2 N4 O9'
_chemical_formula_weight         776.47
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 104.5250(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.8648(7)
_cell_length_b                   17.1789(9)
_cell_length_c                   14.1938(7)
_cell_measurement_temperature    298(2)
_cell_volume                     3272.7(3)
_diffrn_ambient_temperature      273(2)
_exptl_crystal_density_diffrn    1.576
_exptl_crystal_thermal_history   'heated to 428 K for three days'
_cod_original_sg_symbol_Hall     -P2ybc
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100066
Crystal structure of diethyl 2-(dibenzoylmethyl)-3-(triphenylphosphoranylidene) succinate, C~41~H~37~O~6~P
Ramazani, Ali; Dolatyari, Leila; Kazemizadeh, Ali Reza; Ahmadi, Ebrahim; Torabi, Ali Asgar; Welter, Richard; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 181–183; doi:10.1524/ncrs.2004.219.2.181

data_8100067
_publ_section_title
;
 Crystal structure of diethyl 2-(dibenzoylmethyl)-3-(triphenylphosphoranylidene)
 succinate, C~41~H~37~O~6~P
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              181
_journal_page_last               183
_journal_paper_doi               10.1524/ncrs.2004.219.2.181
_journal_volume                  219
_journal_year                    2004
_chemical_formula_moiety         'C41 H37 O6 P'
_chemical_formula_sum            'C41 H37 O6 P'
_chemical_formula_weight         656.68
_chemical_melting_point          478
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                87.523(5)
_cell_angle_beta                 84.819(5)
_cell_angle_gamma                64.188(5)
_cell_formula_units_Z            2
_cell_length_a                   11.128(5)
_cell_length_b                   12.548(5)
_cell_length_c                   13.420(5)
_cell_measurement_temperature    173(2)
_cell_volume                     1680.0(12)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.298
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2020-10-02

The following automatic conversions were performed:

'_chemical_melting_point' value '478 K' was changed to '478' - the
value should be numeric and without a unit designator.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               8100067
Crystal structure of 2-(3-methoxyphenylethynyl)-6-methyl-pyridine, C~15~H~13~NO, M-MPEP - a mGluR5 antagonist
Alagille, D.; Baldwin, R. M.; Incarvito, C. D.; Tamagnan, G.; Zeitschrift für Kristallographie - New Crystal Structures 219 (2004) 187–188; doi:

data_8100068
_publ_section_title
;
Crystal structure of 2-(3-methoxyphenylethynyl)-6-methyl-pyridine, 
C~15~H~13~NO, M-MPEP - a mGluR5 antagonist
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              187
_journal_page_last               188
_journal_volume                  219
_journal_year                    2004
_chemical_formula_iupac          'C15 H13 N O'
_chemical_formula_moiety         'C15 H13 N O'
_chemical_formula_sum            'C15 H13 N O'
_chemical_formula_weight         223.26
_chemical_name_common            M-MPEP
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 104.63(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.986(3)
_cell_length_b                   6.7598(14)
_cell_length_c                   11.415(2)
_cell_measurement_temperature    183(2)
_cell_volume                     1193.5(4)
_diffrn_ambient_temperature      183(2)
_exptl_crystal_density_diffrn    1.243
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100068