LMucko/crystallography-open-database huggingface dataset:
Crystal structure of hexakis(N,N-dimethylformamide-O)aluminium(III) tris(tribromide), Al[(CH~3~)~2~N(CH)O]~6~(Br~3~)~3~
Bekaert, A.; Barberan, O.; Kaloun, E. B.; Rabhi, C.; Danan, A.; Brion, J. D.; Lemoine, P.; Viossat, B.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 128–130; doi:

data_8100547
_publ_section_title
;
Crystal structure of hexakis(N,N-dimethylformamide-O)aluminium(III) 
tris(tribromide), Al[(CH~3~)~2~N(CH)O]~6~(Br~3~)~3~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              128
_journal_page_last               130
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C18 H42 Al Br9 N6 O6'
_chemical_formula_sum            'C18 H42 Al Br9 N6 O6'
_chemical_formula_weight         1184.75
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 94.12(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.088(2)
_cell_length_b                   12.722(1)
_cell_length_c                   20.093(2)
_cell_measurement_temperature    293(2)
_cell_volume                     4101.8(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.918
_exptl_crystal_density_meas      1.92
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               8100547
Refinement of the crystal structure of dimeric bis(N,N-diethyldithiocarbamato) cadmium(II), [Cd(S~2~CNEt~2~)~2~]~2~
Dee, C. M.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 85–86; doi:

data_8100548
_publ_section_title
;Refinement of the crystal structure of dimeric
 bis(N,N-diethyldithiocarbamato)
cadmium(II), [Cd(S~2~CNEt~2~)~2~]~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              85
_journal_page_last               86
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     '[Cd(S2 CNEt2)2]2'
_chemical_formula_sum            'C20 H40 Cd2 N4 S8'
_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                 103.581(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.8208(3)
_cell_length_b                   10.7609(3)
_cell_length_c                   15.9952(4)
_cell_measurement_temperature    223(2)
_cell_volume                     1643.12(8)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.653
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100548
Crystal structure of trimethylglycine 2-hydroxy-1,2,3-propanetricarboxylic acid (1:1) adduct, C~6~O~7~H~8 ~·~ ~C~5~NO~2~H~11~
Andrade, L.C.R.; Costa, M.M.R.; Paixão, J.A.; Santos, M.L.; Agostinho Moreira, J.; Chaves, M.R.; Almeida, A.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 77–78; doi:

data_8100549
_publ_section_title
;
Crystal structure of trimethylglycine 2-hydroxy-1,2,3-propanetricarboxylic 
acid (1:1) adduct, C~6~O~7~H~8 ~&#x00B7;~ ~C~5~NO~2~H~11~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              77
_journal_page_last               78
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C5 H11 N1 O2, C6 H8 O7'
_chemical_formula_sum            'C11 H19 N O9'
_chemical_formula_weight         309.27
_chemical_name_common
;
Betaine citric acid (1:1) adduct
;
_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                103.85(4)
_cell_angle_beta                 97.50(3)
_cell_angle_gamma                105.32(4)
_cell_formula_units_Z            2
_cell_length_a                   7.175(3)
_cell_length_b                   10.065(4)
_cell_length_c                   11.099(3)
_cell_measurement_temperature    293(2)
_cell_volume                     734.3(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.399
_cod_database_code               8100549
Crystal structure of 1,1,2,2,6,6,7,7-octa-tert-butyl-5,10-dimethylene- 1,2,6,7-tetrasilacyclodeca-3,8-diyne, C~40~H~76~Si~4~
Ostendorf, Detlev; Haase, Detlev; Saak, Wolfgang; Weidenbruch, Manfred; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 101–103; doi:

data_8100550
_publ_section_title
;
Crystal structure of 1,1,2,2,6,6,7,7-octa-tert-butyl-5,10-dimethylene-
1,2,6,7-tetrasilacyclodeca-3,8-diyne, C~40~H~76~Si~4~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              101
_journal_page_last               103
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C40 H76 Si4'
_chemical_formula_sum            'C40 H76 Si4'
_chemical_formula_weight         669.37
_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                 98.670(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.0844(3)
_cell_length_b                   19.5735(7)
_cell_length_c                   19.5787(5)
_cell_measurement_temperature    193(2)
_cell_volume                     4199.3(2)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.059
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100550
Crystal structure of isopropyl 3-isopropyloxy-5-oxophenyl-delta^2 ^-1,2,4-triazoline-1-carboxylate, C~15~H~19~N~3~O~4~
Saylik, D.; Horvath, M. J.; Elmes, P. S.; Jackson, W. R.; Lovel, C. G.; Moody, K.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 91–93; doi:

data_8100551
_publ_section_title
;
Crystal structure of isopropyl 3-isopropyloxy-5-oxophenyl-delta^2
^-1,2,4-triazoline-1-carboxylate, C~15~H~19~N~3~O~4~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              91
_journal_page_last               93
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C15 H19 N3 O4 '
_chemical_formula_structural     'C15 H19 N3 O4 '
_chemical_formula_sum            'C15 H19 N3 O4'
_chemical_formula_weight         305.33
_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
_cell_angle_beta                 107.92(6)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.54(1)
_cell_length_b                   9.392(8)
_cell_length_c                   21.39(1)
_cell_measurement_temperature    203
_cell_volume                     3160(4)
_diffrn_ambient_temperature      203
_exptl_crystal_density_diffrn    1.283
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C15 H19 N3 O4 '
_cod_database_code               8100551
Crystal structure of ethane-1,2-diaminebis(2,3,5,6-tetrafluoro-4-methoxy- phenyl)platinum(II), C~16~H~14~F~8~N~2~O~2~Pt
Deacon, G. B.; Nelson, K. T.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 87–88; doi:

data_8100552
_publ_section_title
;
Crystal structure of ethane-1,2-diaminebis(2,3,5,6-tetrafluoro-4-methoxy-
phenyl)platinum(II), C~16~H~14~F~8~N~2~O~2~Pt
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              87
_journal_page_last               88
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C16 H14 F8 N2 O2 Pt '
_chemical_formula_structural     'C16 H14 F8 N2 O2 Pt '
_chemical_formula_sum            'C16 H14 F8 N2 O2 Pt'
_chemical_formula_weight         613.38
_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
_cell_angle_beta                 95.05(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.792(1)
_cell_length_b                   15.670(1)
_cell_length_c                   12.383(1)
_cell_measurement_temperature    293
_cell_volume                     1892.7(3)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    2.153
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C16 H14 F8 N2 O2 Pt '
_cod_database_code               8100552
Crystal structure of 4,4',5,5'-tetraphenyle-2,2'-bithiazole, C~30~H~20~N~2~S~2~
Mahjoub, A. R.; Morsali, A.; Poorheravi, M. R.; Shams, E.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 97–98; doi:

data_8100553
_publ_section_title
;Crystal structure of 4,4',5,5'-tetraphenyle-2,2'-bithiazole,
 C~30~H~20~N~2~S~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              97
_journal_page_last               98
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C30 H20 N2 S2'
_chemical_formula_structural     'C30 H20 N2 S2'
_chemical_formula_sum            'C30 H20 N2 S2'
_chemical_formula_weight         472.60
_chemical_melting_point          240
_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                 99.525(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   5.640(4)
_cell_length_b                   18.912(15)
_cell_length_c                   10.837(9)
_cell_measurement_temperature    110(2)
_cell_volume                     1140.0(15)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.377
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100553
Crystal structure of bis[chloro-1kappaCl-mu-fluoro-mu-oxo-(tetraphenyl- 1kappa~2~C,2kappa~2~C)ditin], [(C~6~H~5~)~2~SnClFOSn(C~6~H~5~)~2~] ~2~
Ahmed, Ibrahim; Reuter, Hans; Kastner, Guiodo; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 107–108; doi:

data_8100554
_publ_section_title
;
Crystal structure of bis[chloro-1kappaCl-mu-fluoro-mu-oxo-(tetraphenyl-
1kappa~2~C,2kappa~2~C)ditin], [(C~6~H~5~)~2~SnClFOSn(C~6~H~5~)~2~]
~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              107
_journal_page_last               108
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         '[(Ph2SnCl)(Ph2SnF)O]2'
_chemical_formula_structural     'C48 H40 Cl2 F2 O2 Sn4'
_chemical_formula_sum            'C48 H40 Cl2 F2 O2 Sn4'
_chemical_formula_weight         1232.46
_chemical_melting_point          152.9
_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                 91.705(15)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.113(2)
_cell_length_b                   18.360(2)
_cell_length_c                   11.8768(19)
_cell_measurement_temperature    293(2)
_cell_volume                     2422.0(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.690
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100554
Crystal structure of 4-[4-(dimethylamino)phenyl]-5-(2,4-dimethyl-1, 3-thiazol-5-yl)-2,4-dihydro-3H-1,2,4-triazol-3-thione, C~15~H~17~N~5~S~2~
Ramazani, Ali; Morsali, Ali; Jamali, Fahimeh; Gouranlou, Farideh; Jalilian, Amir Reza; Momeni-Movahhed, Abolfazle; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 149–150; doi:

data_8100555
_publ_section_title
;
Crystal structure of 4-[4-(dimethylamino)phenyl]-5-(2,4-dimethyl-1,
3-thiazol-5-yl)-2,4-dihydro-3H-1,2,4-triazol-3-thione, C~15~H~17~N~5~S~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              149
_journal_page_last               150
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C15 H17 N5 S2'
_chemical_formula_structural     'C15 H17 N5 S2'
_chemical_formula_sum            'C15 H17 N5 S2'
_chemical_formula_weight         331.46
_chemical_melting_point          225
_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                75.651(4)
_cell_angle_beta                 82.732(3)
_cell_angle_gamma                62.609(3)
_cell_formula_units_Z            2
_cell_length_a                   7.8216(12)
_cell_length_b                   8.3549(13)
_cell_length_c                   13.925(2)
_cell_measurement_temperature    110(2)
_cell_volume                     782.7(2)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.406
_cod_database_code               8100555
Crystal structure of bis(guanidinium)(hydrogen triethylenetetramine- hexaacetato)praseodymate(III) hydrate, C~18~H~25~N~4~O~12~Pr · 2CH~6~N~3~ · 3.5H~2~O
Tinant, B.; Bodart, N.; Wullens, H.; Devillers, M.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 109–111; doi:

data_8100556
_publ_section_title
;Crystal structure of bis(guanidinium)(hydrogen
 triethylenetetramine-
hexaacetato)praseodymate(III) hydrate,
 C~18~H~25~N~4~O~12~Pr &#x00B7; 2CH~6~N~3~ &#x00B7; 3.5H~2~O
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              109
_journal_page_last               111
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety
;
 C18 H25 N4 O12 Pr 2(CH6N3) 3.5(H2 O)
;
_chemical_formula_structural     '(C18 H25 N4 O12 Pr) . 2(CH6N3) . 3.5(H2 O)'
_chemical_formula_sum            'C20 H43.5 N10 O15.5 Pr'
_chemical_formula_weight         813.06
_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                106.72(2)
_cell_angle_beta                 90.20(2)
_cell_angle_gamma                93.29(2)
_cell_formula_units_Z            2
_cell_length_a                   10.013(2)
_cell_length_b                   10.735(2)
_cell_length_c                   15.577(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1600.6(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.687
_cod_original_formula_sum        'C20 H43.50 N10 O15.50 Pr'
_cod_database_code               8100556
Crystal structure of bis(aminoguanidinium)(hydrogen triethylenetetramine- hexaacetato)praseodymate(III) hydrate, C~18~H~25~N~4~O~12~Pr · 2CH~7~N~4~ · 3.7H~2~O
Tinant, B.; Bodart, N.; Wullens, H.; Devillers, M.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 112–114; doi:

data_8100557
_publ_section_title
;
Crystal structure of bis(aminoguanidinium)(hydrogen triethylenetetramine-
hexaacetato)praseodymate(III) hydrate, C~18~H~25~N~4~O~12~Pr &#x00B7; 
2CH~7~N~4~ &#x00B7; 3.7H~2~O
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              112
_journal_page_last               114
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C18 H25 N4 O12 Pr 2(CH7N4) 3.7(H2 O)'
_chemical_formula_structural     '(C18 H25 N4 O12 Pr).2(CH7N4).3.7(H2 O)'
_chemical_formula_sum            'C20 H46.4 N12 O15.7 Pr'
_chemical_formula_weight         847.20
_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                107.05(2)
_cell_angle_beta                 90.43(2)
_cell_angle_gamma                93.35(2)
_cell_formula_units_Z            2
_cell_length_a                   10.329(2)
_cell_length_b                   10.725(3)
_cell_length_c                   15.635(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1652.5(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.703
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-07-12
;
_cod_original_formula_sum        'C20 H46.40 N12 O15.70 Pr'
_cod_database_code               8100557
Crystal structure of dimethylphosphinic acid anhydride, [(CH~3~)~2~P (O)]~2~O
Weisbarth, Ralf; Jansen, Martin; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 94–94; doi:

data_8100558
_publ_section_title
;
Crystal structure of dimethylphosphinic acid anhydride, [(CH~3~)~2~P
(O)]~2~O
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              94
_journal_page_last               94
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C4 H12 O3 P2'
_chemical_formula_structural     '[(C H3)2 P(O)]2 O'
_chemical_formula_sum            'C4 H12 O3 P2'
_chemical_formula_weight         170.08
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 108.067(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.1362(2)
_cell_length_b                   8.6319(2)
_cell_length_c                   12.4294(3)
_cell_measurement_temperature    293(2)
_cell_volume                     829.89(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.361
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8100558
Crystal structure of benzoyl(4-chlorophenylhydrazono)methyl phenyl sulfone, C~20~H~15~ClN~2~O~3~S, and benzoyl(4-bromophenylhydrazono) methyl phenyl sulfone, C~20~H~15~BrN~2~O~3~S, two isomorphous beta- ketosulfones
Wolf, Wojciech M.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 115–117; doi:

data_8100559
_publ_section_title
;
Crystal structure of benzoyl(4-chlorophenylhydrazono)methyl phenyl 
sulfone, C~20~H~15~ClN~2~O~3~S, and benzoyl(4-bromophenylhydrazono)
methyl phenyl sulfone, C~20~H~15~BrN~2~O~3~S, two isomorphous beta-
ketosulfones
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              115
_journal_page_last               117
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C20 H15 Cl N2 O3 S'
_chemical_formula_structural     'C20 H15 Cl N2 O3 S'
_chemical_formula_sum            'C20 H15 Cl N2 O3 S'
_chemical_formula_weight         398.85
_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                 107.34(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.227(3)
_cell_length_b                   18.949(4)
_cell_length_c                   9.156(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1859.3(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.425
_refine_diff_density_rms         0.086
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100559
Crystal structure of benzoyl(4-chlorophenylhydrazono)methyl phenyl sulfone, C~20~H~15~ClN~2~O~3~S, and benzoyl(4-bromophenylhydrazono) methyl phenyl sulfone, C~20~H~15~BrN~2~O~3~S, two isomorphous β-ketosulfones
Wolf, Wojciech M.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 115–117; doi:

data_8100560
_publ_section_title
;
Crystal structure of benzoyl(4-chlorophenylhydrazono)methyl phenyl 
sulfone, C~20~H~15~ClN~2~O~3~S, and benzoyl(4-bromophenylhydrazono)
methyl phenyl sulfone, C~20~H~15~BrN~2~O~3~S, two isomorphous \b-ketosulfones
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              115
_journal_page_last               117
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C20 H15 Br N2 O3 S'
_chemical_formula_structural     'C20 H15 Br N2 O3 S'
_chemical_formula_sum            'C20 H15 Br N2 O3 S'
_chemical_formula_weight         443.31
_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                 107.85(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.412(2)
_cell_length_b                   18.994(3)
_cell_length_c                   9.100(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1877.6(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.568
_refine_diff_density_rms         0.082
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100560