Crystallography Open Database

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8104671 CIFC6 H5 Cl SP 1 21/n 15.7461; 9.7601; 5.7466
90; 95.869; 90
320.59Manana, Pholani; Hosten, Eric C.; Betz, Richard
The crystal structure of 4-chloro-thiophenol, C6H5ClS
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1079-1081
8104942 CIFC6 H4 Br IP 1 21/c 14.1704; 5.8242; 14.929
90; 97.315; 90
359.66Hosten, Eric C.; Betz, Richard
The crystal structure of 1-bromo-4-iodo-benzene, C6H4BrI
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 267-268
8104611 CIFC6 H7 Br N2 O2P -17.3026; 7.4618; 7.8746
81.542; 89.459; 61.718
372.86Du, Chao-Jun; Niu, De-Long; Yan, Zhen-Li; Zheng, Shi-Li; Zeng, Yan
The crystal structure of 3-amino-5-carboxypyridin-1-ium bromide, C6H7BrN2O2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1375-1376
8104900 CIFC8 H9 N O2 SP -16.6909; 7.9787; 8.5551
80.065; 68.175; 77.676
412.01Maritz, Marius; Hosten, Eric C.; Betz, Richard
Crystal structure of 2-((4-Aminophenyl)thio)acetic acid, C8H9NO2S
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 125-127
8104806 CIFC6 H10 Cl2 N2 OP -14.8274; 8.0556; 12.0648
71.237; 78.739; 72.95
422.06Muller, Kina; Hosten, Eric C.; Betz, Richard
The crystal structure of 4-hydroxybenzene-1,3-diaminium dichloride, C6H10Cl2N2O
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 281-283
8104764 CIFC16 H22 Mn N4 O6P -17.4412; 8.2273; 8.6693
72.516; 76.827; 63.444
450.08Xi-Shi, Tai; Li-Li, Zhang; Li-Li, Liu; Shu-Hua, Cao; Li-Hua, Wang
The crystal structure of bis(ethanol-kO)- bis(6-aminopicolinato-k2 N,O)manganese(II), C16H22O6N4Mn
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 551-552
8104791 CIFC9 H12 O5P -15.6537; 7.7954; 10.6841
102.238; 95.381; 90.94
457.83Hou, Xuehui; Wang, Qinglong; Wang, Jianling; Li, Aiqin; Ding, Degang; Lv, Quanjian
Crystal structure of 3-(methoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, C9H12O5
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 651-652
8104843 CIFC6 H15 Cl2 NP -16.9579; 8.1852; 8.7912
66.606; 86.105; 89.834
458.3Muller, Kina; Hosten, Eric C.; Betz, Richard
The crystal structure of N-(2-chloroethyl)-N,N-diethylammonium chloride, C6H15Cl2N
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 397-399
8104706 CIFBa2 Cl2 Mn O6 Se2P n n m6.7685; 12.8618; 5.4685
90; 90; 90
476.06Geng, Lei
The crystal structure of Ba 2 Mn(SeO3)2Cl2 containing 1 ∞[Mn(SeO3)2Cl2]4− chains
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 771-772
8104627 CIFAl1.4 F2 K Mg2.8 O10 Si2.8C 1 2/m 15.304; 9.2288; 10.1286
90; 100.173; 90
488Aiqing, Chen; Lixue, Zhang
Crystal structure of Al-rich fluorophlogopite, K1.0(Mg2.8Al0.2)(Si2.8Al1.2)O10F2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 931-933
8104693 CIFC6 H9 Cl N2 O7P -16.8667; 7.5196; 10.0908
74.237; 81.603; 88.888
495.95Hou, Siyu; Ren, Penggang; Zeng, Yan
The crystal structure of 3-amino-5-carboxypyridin-1-ium perchlorate monohydrate, C6H9ClN2O7
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 727-728
8104825 CIFC7 H8 Ag2 N3 O4 SP -17.3758; 8.7361; 9.2906
112.877; 90.054; 102.568
535.9Zhao, Han-Lin; Jiang, Jin-Ke; Chu, Yu-Tong; Li, Gang-Mei; Li, Xi-Xi; Jin, Xin
Crystal structure of poly[diammine-bis(μ4-4-hydroxypyridine-3-sulfonato-κ5 N:O, O′:O′′:O′′)(μ2-pyrazinyl-κ2 N:N′)tetrasilver(I)], C7H8Ag2N3O4S
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 341-342
8104914 CIFC6 H4 F2 OP 21 21 214.9287; 10.1752; 10.9156
90; 90; 90
547.42Manana, Pholani; Cuthbertson, Jarryd; Hosten, Eric C.; Betz, Richard
The crystal structure of 2,6-difluorophenol, C6H4F2O
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 177-178
8104917 CIFC5 H8 N2P 1 21/n 18.2492; 7.2496; 9.2882
90; 99.214; 90
548.3Hosten, Eric C.; Betz, Richard
The crystal structure of 1,2-dimethylimidazole, C5H8N2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 185-186
8104871 CIFC30 H22 S2P -17.5621; 8.6787; 9.8951
110.418; 97.681; 108.843
553.33Jing, Nie; Jian-Hua, Wei; Zhong-Hai, Ni
Synthesis, crystal structure and optical property of 1,6-bis(p-tolylthio)pyrene, C30H22S2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 21-23
8104752 CIFC8 H14 O5 SP 1 21 16.3783; 8.263; 10.5891
90; 90.877; 90
558.02Hosten, Eric C.; Betz, Richard
The crystal structure of diaquahydrogen 2,5-dimethylbenzenesulphonate, C8H14O5S
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 511-513
8104822 CIFC4 H11 N O2P 1 21/n 16.0864; 10.9696; 8.5928
90; 93.36; 90
572.72Hosten, Eric C.; Betz, Richard
Redetermination of the crystal structure of 2-amino-2-methyl-propane-1,3-diole, C4H11NO2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 333-334
8104596 CIFC6 H18 Cl N3 O7 SP 3 1 c8.399; 8.399; 9.6208
90; 90; 120
587.76Velcheva, Vyara; Hegetschweiler, Kaspar; Gencheva, Galina
Crystal structure of all-cis-2,4,6-trihydroxycyclohexane- 1,3,5-triaminium chloride sulfate, C6H18ClN3O7S
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1319-1321
8104793 CIFC12 H24 Mn N4 O4 Pt S4P -17.5234; 9.2143; 9.4188
68.9266; 76.5614; 85.8639
592.54Ha, Kwang
Crystal structure of catena-poly[di(μ 2-cyanido-κ2 C:N)-dicyanido-tetrakis(dimethyl sulfoxide-κO)-manganese(II)-platinum(II)], C12H24MnN4O4PtS4
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 657-658
8104941 CIFC6 H6 Cl NP 1 21/c 16.5211; 10.2467; 9.1436
90; 94.1771; 90
609.35Hosten, Eric C.; Betz, Richard
The crystal structure of 2-(chloromethyl)pyridine, C6H6ClN
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 263-265
8104604 CIFC12 H8 Mn Mo N2 O4P 1 21/m 18.9812; 6.5212; 10.6167
90; 100.12; 90
612.13Ze-Hai, Qiu; Zhu-Sen, Zhang; Wu-Hua, Chen
The crystal structure of catena-poly[(1,10-phenanthroline-k2 N,N′)-(μ3-tetraoxidomoybdato(VI)-k3 O:O′:O″)manganese(II)] C12H8N2O4MoMn
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1347-1349
8104712 CIFC13 H8 N2 O6P -16.9561; 7.304; 13.2883
100.988; 95.557; 107.424
623.76Hao, Chen-Hong; Meng, Jiao; Tian, Jing; Luo, Xiao-Fang; Wang, Zong-Cheng
Synthesis and crystal structure of 4-(2,4-dinitrophenoxy)benzaldehyde, C13H8N2O6
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 789-790
8104724 CIFC18 H20 Br2 N4 O8 S2P -16.1463; 8.3637; 12.461
85.578; 85.942; 86.31
635.9Ma, Ling; Yang, Ruoqi; Li, Jianqing
The crystal structure of 6,6′-((1E,1′E)-hydrazine-1,2-diylidenebis(methaneylylidene)) bis(2-bromo-4-nitrophenol) — dimethylsulfoxide (1/2), C14H8Br2N4O6⋅2(C2H6OS)
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 823-825
8104547 CIFC14 H13 N O5P 1 21 14.6967; 10.7175; 12.945
90; 94.827; 90
649.3Yoo, Miri; Koh, Dongsoo
Crystal structure of (E)-ethyl 2-((4-oxo-4H-chromen-3-yl)methyleneaminooxy)acetate, C14H13NO5
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1135-1137
8104895 CIFC26 H18 N6 Ni S4P -18.2947; 8.9964; 9.421
70.988; 79.971; 82.567
652.52Yan, Wei-Hong; Pan, Hui-Yan
Crystal structure of 1,4-bis(methylpyridinium benzene) bis(1,2-dicyanoethene-1,2-dithiolato-κ2 S:S)nickel(II), C26H18N6NiS4
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 107-108
8104918 CIFC7 H8 N2 O2P 1 21/n 18.9884; 6.049; 12.129
90; 95.4; 90
656.54Hosten, Eric C.; Betz, Richard
The crystal structure of 3-ammonio-4-aminobenzoate, C7H8N2O2 – a second polymorph
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 187-188
8104603 CIFC16 H13 N O4 ZnP -17.5223; 8.0977; 11.7739
76.41; 75.495; 75.902
661.76Chen, Hai-Lin; Yao, Dong-Mei; Wang, Yan-Ping; Lao, Ya-Xin
The crystal structure of poly[(μ 4-4,4′-(azanediylbis(methylene))dibenzoato-κ 4 O:N:O′:Oʺ)zinc(II)], C16H13NO4Zn
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1345-1346
8104838 CIFC16 H12 B Br N2P 1 21 14.7061; 10.4639; 13.5675
90; 97.512; 90
662.39Ding, Siyi; Zhu, Min; Miao, Zong-Cheng
The crystal structre of 2-(4-bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine, C16H12BBrN2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 383-384
8104609 CIFC26 H18 N6 Pt S4P -18.2661; 9.1519; 9.4673
70.473; 80.77; 83.34
664.77Yan, Wei-Hong; Zeng, Xian-Cai
Crystal structure of 1,1′-(1,4-phenylenebis(methylene))bis(pyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ2 S,S) platinum(II), C26H18N6PtS4
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1367-1369
8104809 CIFC13 H16 F3 N OP -14.7889; 11.7867; 12.5323
100.762; 100.232; 100.683
666.19Hosten, Eric C.; Betz, Richard
Crystal structure of N-(2-(trifluoromethyl)phenyl)hexanamide, C13H16F3NO
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 291-292
8104922 CIFC6 H10 N2P -17.4423; 7.942; 11.6711
96.667; 95.65; 100.999
667.42Hosten, Eric C.; Betz, Richard
The crystal structure of 2-iso-propylimidazole, C6H10N2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 201-203
8104546 CIFC6 H4 Br N O2P n a 2121.3992; 5.9311; 5.2923
90; 90; 90
671.7Manana, Pholani; Hosten, Eric C.; Betz, Richard
Redetermination of the crystal structure of 3-bromonitrobenzene at 200 K, C6H4BrNO2 – temperature effects on cell constants
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1131-1133
8104916 CIFC5 H10 N2 OI 1 a 14.7212; 11.1424; 12.8211
90; 94.349; 90
672.52Hosten, Eric C.; Betz, Richard
The crystal structure of 2,4-dimethylimidazole monohydrate, C5H10N2O
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 181-183
8104614 CIFC32 H38 Cl0 N2 O4P -16.983; 8.472; 12.113
88.009; 73.45; 81.793
679.9Yang, Shuai; Dong, Jin-Ling; Chen, Jin-Ming
Crystal structure of diethyl 6,12-dimethyl-3,9-di-p-tolyl-3,9-diazapentacyclo[6.4.0.02,7.04,11.05,10]dodecane-1,5-dicarboxylate, C32H38N2O4
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1381-1382
8104638 CIFC12 H8 Cl2 Cu N2 O5P -16.8; 9.086; 11.363
86.701; 84.83; 77.353
681.7Zhang, Zhongyu; Tong, Mingqiong; Liu, Yanling
The crystal structure of aqua-bis(6-chloropicolinato-κ2 N,O)copper(II), C12H8Cl2N2O5Cu
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 971-972
8104827 CIFC14 H10 Br2 N2 O2P 1 21/n 14.8308; 6.1438; 23.0836
90; 91.0784; 90
684.99Xu, Xindi; Tian, Hui; Wang, Xia; Wang, Man; Wu, Qiong
Crystal structure of 4-bromo-N′-[(3-chloro-2-hydroxyphenyl)methylidene]benzohydrazide, C14H7Br2N2O2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 347-348
8104775 CIFC13 H16 N2 O3 SP -18.1998; 9.132; 10.7062
106.183; 111.506; 97.589
691.27Chong, Yan Yi; Mark-Lee, Wun Fui; Mohamed Tahir, Mohamed Ibrahim; Kassim, Mohammad B.
Crystal structure of ethyl-2-(3-benzoylthioureido)propanoate, C13H16N2O3S
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 591-593
8104553 CIFC17 H9 Cl N2 O2P -17.8944; 8.0678; 12.6285
74.627; 78.654; 63.569
691.58Zhang, Wei; Zhang, Yu; Feng, Song-Hao; Wang, Jing-Jing
The crystal structure of 5-chloro-2-(quinolin-8-yl)isoindoline-1,3-dione, C17H9ClN2O2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1155-1156
8104897 CIFC14 H13 As Cl N O2P -17.718; 8.219; 11.962
87.438; 73.45; 72.167
691.66Averdunk, Arthur; Hosten, Eric C.; Betz, Richard
Crystal structure of phenarsazine chloride acetic acid solvate, C14H13AsClNO2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 113-115
8104737 CIFC28 H28 Cu N10 O6P -18.6869; 9.0094; 9.5839
74.288; 87.672; 76.11
700.69Chen, Hai-Lin; Lan, Jian-Jing; Qin, Yue; Yao, Dong-Mei; Wang, Yan-Ping; Li, Meng-Xi; Tan, Chuang
The crystal structure of catena-poly[bis(µ2-1,2-bis((1H-imidazol-1-yl)methyl)benzene- κ2 N:N′)-bis(nitrato-κO)copper(II)], C28H28N10O6Cu
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 865-866
8104601 CIFC15 H16 Cl N O2P -17.4339; 8.2564; 12.184
108.804; 93.672; 94.373
702.7Deng, Zu-Shuai; Luo, Peng; Pan, Wei-Gao
Crystal structure of 2-chloro-3-(isopentylamino)naphthalene-1,4-dione, C 15 H 16 ClNO 2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1337-1339
8104725 CIFC13 H17 Cl2 N O2P 17.1486; 7.8265; 13.6579
81.085; 77.487; 73.335
711.13Luelf, U. Joost; Reiss, Guido J.; Bokel, Ansgar; Urlacher, Vlada B.
Selective biocatalytic synthesis and crystal structure of (2R,6R)-hydroxyketaminium chloride, C13H17Cl2NO2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 827-829
8104729 CIFC32 H30 N4 O8 ZnP -14.408; 12.1316; 14.0769
102.81; 97.455; 97.982
716.81Du, Lian-Cai; Tai, Xi-Shi
The crystal structure of catena-poly[diaqua-bis(μ2-2-((2-(2-phenylacetyl)hydrazineylidene)methyl)benzoato-κ2 O:O')zinc(II)], C32H30N4O8Zn
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 843-844
8104939 CIFC14 H16 N4 O3P 21 21 28.0968; 16.6829; 5.3097
90; 90; 90
717.22Xi-Shi, Tai; Xiao-Jing, Zhou; Li-Li, Liu; Ai-Ling, Zhang; Li-Hua, Wang
The crystal structure of 4-amino-N′-(4-aminobenzoyl)benzohydrazide monohydrate, C14H16N4O3
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 259-260
8104656 CIFC18 H17 N O3P -14.0929; 12.9527; 14.4228
70.171; 87.229; 87.567
718.16Wang, Lei; Meng, Qing-Guo; Hou, Gui-Ge
Crystal structure of (E)-7-methoxy-2-((6-methoxypyridin-2-yl)methylene)-tetralone, C18H17NO3
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1023-1025
8104840 CIFC18 H17 N O3P -17.395; 8.6697; 11.6813
85.457; 76.712; 82.759
722.07Luan, Ming-Zhu; Meng, Qing-Guo
Crystal structure of (E)-7-methoxy-2-((5-methoxypyridin-3-yl)methylene)-3,4- dihydronaphthalen-1(2H)-one, C18H17NO3
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 387-389
8104777 CIFC16 H14 Cl2 N2 O2P 1 21/n 16.8492; 11.515; 10.018
90; 107.11; 90
755.1Li, Weili; Yang, Bo
Crystal structure of 2,2′-[ethane-1,2-diylbis(azanylylidenemethylylidene)]bis(6-chlorophenol), C16H14Cl2N2O2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 599-600
8104879 CIFC19 H14 F4 O2P -18.1539; 8.8584; 11.8025
73.186; 76.184; 69.512
755.39Zhang, Xiao-Fan; Wang, Hui-yun; Zhao, Sheng-Nan; Zhang, Sheng-Nan; Zhao, Feng-Lan; Meng, Qing-Guo
Crystal structure of (E)-2-(4-fluoro-3-(trifluoromethyl)benzylidene)-7-methoxy-3,4-dihydronaphthalen-1(2H)-one, C19H14F4O2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 47-49
8104901 CIFC14 H15 As Cl N O SP 1 21 15.2852; 13.3035; 10.7522
90; 90.13; 90
756Averdunk, Arthur; Hosten, Eric C.; Betz, Richard
Crystal structure of phenarsazine chloride dimethylsulfoxide solvate, C14H15AsClNOS
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 129-131
8104718 CIFC18 H15 B N2 O2P 1 21 16.8522; 8.4333; 13.1908
90; 95.88; 90
758.24Ren, Huaping; Miao, Zong-Cheng
The crystal structure of methyl 4-(1H-naphtho[1,8-de][1,3,2]diazaborinin-2(3H)-yl)benzoate, C18H15BN2O2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 807-808
8104672 CIFC7 H6 Br ClP n a 219.4506; 18.1015; 4.4418
90; 90; 90
759.86Manana, Pholani; Hosten, Eric C.; Betz, Richard
The crystal structure of 4-bromobenzyl chloride, C7H6BrCl
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1083-1085
8104554 CIFC28 H28 Co N2 O20P -17.7951; 9.3511; 11.3352
93.345; 105.499; 104.913
762.19Du, Xigang
Crystal structure of trans-tetraaqua-bis{2-carboxy-4-((5-carboxypyridin-3-yl)oxy)benzoato-κ1 N}cobalt(II) dihydrate C28H28O20N2Co
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1157-1159
8104855 CIFC7 H6 Br N O2P 21 21 214.7019; 6.47; 25.283
90; 90; 90
769.14Hosten, Eric C.; Betz, Richard
The crystal structure of para-nitrobenzylbromide, C7H6BrNO2 – A second polymorph and correction of 3D coordinates
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 443-445
8104651 CIFC7 H11 Li N2 OP 1 21/c 18.9067; 8.6975; 10.2398
90; 103.754; 90
770.491Zapf, Ludwig; Finze, Maik
The crystal structure of poly[(μ 3-imidazolato-κ 3 N:N:N′)(tetrahydrofuran- κ 1 O)lithium(I)], C7H11LiN2O
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1007-1009
8104862 CIFC6 H8 N2 O6P 1 21/c 17.4709; 14.2051; 7.3198
90; 97.096; 90
770.86Clark, Candyce R.; Hosten, Eric C.; Betz, Richard
The crystal structure of 5-carboxy-2-(hydroxymethyl)-1H-imidazol-3-ium-4-carboxylate, C6H8N2O6
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 471-473
8104690 CIFC30 H48 N2 Si2 ZnP -18.828; 9.458; 10.786
74.609; 73.915; 64.888
772.1Wang, Jun-Hong; Tong, Hong-Bo; Wang, Meng-Liang; Yuan, Hai-Yan
Crystal structure of bis(3,3-dimethyl-1-phenylbut-1-en-2-yl)(trimethylsilyl)amido-k1 N)zinc(II), Zn(C15H24NSi)2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 719-720
8104816 CIFC15 H17 N3 O6P -17.2155; 10.7519; 10.8562
107.91; 97.087; 100.409
773.68Xi-Shi, Tai; Zhen, Ren; Li-Li, Liu; Ai-Ling, Zhang; Li-Hua, Wang
The crystal structure of (E)-2-(2-((2-picolinoylhydrazono)methyl)phenoxy)acetic acid dihydrate, C15H17N3O6
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 315-316
8104599 CIFC7 H6 Br N O2P 1 21/c 114.48; 3.956; 13.765
90; 99.266; 90
778.2Yuan, Lin; Zhu, Hong-Yu; Kuang, Jin-Hao; Li, Zhong-Yan
Redetermination of the crystal structure of (E)-5-bromo-2-hydroxybenzaldehyde oxime, C 7 H 6 BrNO 2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1331-1332
8104911 CIFC20 H19 N O2P 1 21 16.6856; 8.8783; 13.2398
90; 97.72; 90
778.75Gong, Yi-Xia; Geng, Yi-Ding
The crystal structure of 2-[(S)-1-(naphthalen-1-yl)ethyl]-2,3,7,7a- tetrahydro-3a,6-epoxyisoindol-1(6H)-one, C19H20NO2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 167-168
8104734 CIFC20 H19 N O2P 1 21 16.6936; 8.8892; 13.2577
90; 97.74; 90
781.66Geng, Yi-Ding; Gong, Yi-Xia; Zhou, Shu-Jing; Wang, Gui-Yan
The crystal structure of 2-[(R)-1-(naphthalen-1-yl)ethyl]-2,3,7,7a-tetrahydro-3a,6-epoxyisoindol-1(6H)-one, C19H20NO2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 857-859
8104670 CIFC6 H11 Br O2P 1 21/n 110.673; 5.2781; 14.7781
90; 109.61; 90
784.21Ndima, Lubabalo; Hosten, Eric C.; Betz, Richard
The crystal structure of 6-bromohexanoic acid, C6H11BrO2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1077-1078
8104828 CIFC21 H18 O2P -19.8213; 9.9212; 10.04
65.51; 63.539; 84.842
791.59Hosten, Eric C.; Betz, Richard
Redetermination of the crystal structure of 3,3,3-triphenylpropanoic acid, C21H18O2 – Deposition of hydrogen atomic coordinates
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 349-351
8104781 CIFC10 H14 Mn N6 O2 PtC 1 2/m 115.803; 7.6794; 7.097
90; 110.846; 90
804.89Ha, Kwang
Crystal structure of poly[tetra(μ 2-cyanido-κ2 N:O)-bis(N,N-dimethylformamide-κO)-manganese(II)-platinum(II)], C10H14MnN6O2Pt
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 613-614
8104757 CIFC7 H3 Cl3 OP 1 21/c 112.0518; 9.7403; 6.9562
90; 99.047; 90
806.42Hosten, Eric C.; Betz, Richard
The crystal structure of 3,4-dichlorobenzoic acid chloride, C7H3Cl3O
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 531-532
8104819 CIFC15 H14 Br2 N2 O3P -17.2748; 9.0786; 12.8613
99.458; 100.401; 99.499
807.35Xu, Xindi; Ma, Xun; Huang, Meifen; Li, Tianyu; Wu, Qiong
Crystal structure of 4-bromo-N′-[(3-bromo-2-hydroxyphenyl)methylidene]benzohydrazide methanol solvate, C15H14Br2N2O3
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 323-324
8104753 CIFC17 H30 N2P -4 21 m8.6755; 8.6755; 11.1611
90; 90; 90
840.03Hosten, Eric C.; Betz, Richard
The crystal structure of N-(4-(cyclohexylimino)pent-2-en-2-yl)cyclohexanamine, C17H30N2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 515-517
8104702 CIFC9 H12 N OP -16.088; 8.911; 16.44
81.772; 84.683; 76.045
855Xiao, Yingcong
The crystal structure of (3Z,3′Z)-4,4′-((1,4-phenylenebis(methylene))bis(azanediyl))bis(pent-3-en-2-one), C18H24N2O2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 757-758
8104658 CIFC10 H9 N SP 1 21/n 17.9214; 6.0808; 17.8091
90; 90.592; 90
857.79Zhai, Zhi-Wei; Yang, Shuang-Hua
The crystal structure of 2,5-bis(3,5-dimethylphenyl)thiazolo[5,4-d]thiazole, C20H18N2S2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1031-1033
8104681 CIFC7 H9 Cl N2 O2P 21 21 214.6321; 7.5132; 24.7605
90; 90; 90
861.71Song, Wenqi; Yang, Miaoxiu; Qian, Liwei; Miao, Zongcheng
The crystal structure of 3-(carboxymethyl)-1-ethenyl-1H-imidazol-3-ium chloride, C7H9N2O2Cl
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1115-1116
8104607 CIFC19 H22 O7P 1 21 16.4154; 7.8782; 17.1555
90; 91.021; 90
866.93Xu, Xin-Ke; Li, Can-Jie; Tan, Jin-Lin; Zhao, Hai-Yue; Lin, Qiang; Li, Yao-Lan; Zhang, Yu-Bo; Wang, Guo-Cai
The crystal structure of (2a′S,2a1′S,3R,5a′S,7′R)-5-(furan-3-yl)-2a′,2a1′-dihydroxy-7′-methyldecahydro-2H-spiro[furan-3,6′-naphtho[1,8-bc]furan]-2,2′(2a′H)-dione, C19H22O7
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1359-1361
8104709 CIFC21 H18 O5P 1 21 19.1511; 5.6679; 16.7731
90; 93.435; 90
868.42Sun, Wei; Wang, Yan; Zhou, Xiao-ping; Zhang, Mu-xin; Yang, Jin-zhu; Liang, Di
Crystal structure of benzo[d][1,3]dioxol-5-yl-2-(6-methoxynaphthalen-2-yl)propanoate, C21H18O5
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 779-780
8104812 CIFC6 H13 Cl2 NP 21 21 216.0087; 10.1176; 14.3532
90; 90; 90
872.58Muller, Kina; Hosten, Eric C.; Betz, Richard
The crystal structure of 4-chloro-1-methylpiperidin-1-ium chloride, C6H13Cl2N
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 301-303
8104650 CIFC18 H12 Br2 Cu N4 O2P 1 21/c 111.5165; 5.4369; 14.4872
90; 105.639; 90
873.52Jaćimović, Željko K.; Tomić, Zoran D.; Giester, Gerald; Libowitzky, Eugen; Ajanović, Atifa; Kosović, Milica
The crystal structure of bis[4-bromo-2-(1H-pyrazol-3-yl) phenolato-κ2 N,O] copper(II), C18H12Br2CuN4O2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1003-1005
8104847 CIFC22 H15 N3 O2P -15.7613; 12.3545; 13.3427
110.002; 98.837; 94.263
873.56Li, Jin; Zuo, Zhenyu; Chen, Yan; Liu, Yali; Yin, Dachuan
The crystal structure of 2-(naphthalen-2-yloxy)-4-phenyl-6-(prop-2-yn-1-yloxy)-1,3,5-triazine, C22H15N3O2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 413-415
8104655 CIFC12 H16 I2 N4 O5P 1 2/n 19.83; 5.3338; 17.404
90; 105.493; 90
879.36Huang, Guang
The crystal structure of 2-amino-3-carboxypyridin-1-ium iodide hemihydrate, C6H8IN2O2.5
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1021-1022
8104744 CIFC21 H20 O4P 1 21 15.7726; 12.662; 12.068
90; 92.377; 90
881.3Sun, Wei; Shi, Zhe; Wang, Yan; Zhou, Xiao-ping; Liang, Di
Crystal structure of 2-methoxyphenyl 2-(6-methoxynaphthalen-2-yl)propanoate, C21H20O4
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 885-886
8104688 CIFC34 H32 Cu2 N12 O2 S2P -17.797; 9.611; 12.7629
71.544; 79.322; 83.734
890.2Fang, Xiang; Yang, Jing; Zhang, Ya-Wen; Lv, Xin-Ya; Wang, Xia; Song, Ning
Crystal structure of dimethanolato-k2 O:O-bis(1-((2-methyl-1H-benzo[d]imidazol-1-yl)methyl)-1H-benzo[d][1,2,3]triazole-κN)-bis(thiocyanato-κN)dicopper(II), C34H32Cu2N12O2S2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 713-715
8104742 CIFC12 H18 N8 O4 S2P 1 21/c 113.378; 5.0129; 13.396
90; 96.118; 90
893.3Hou, Yimin; Zhang, Zhongyun; Zhu, Xin
Crystal structure of bis(amino(thioureido)methaniminium) terephthalate, C12H18N8O4S2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 879-880
8104732 CIFC24 H26 Cu2 N8 O27P -14.7705; 14.6219; 14.7418
61.225; 85.342; 83.938
895.73Liu, Xiao-Jing; Li, Wen-Yu; Guo, Zi-Yu; Liu, E.; Jian, Fang-Fang; Liang, Tongling
Crystal structure of diaqua-bis(2,4-dinitrophenolato-κ2 O,O′)copper(II) 1.5 hydrate, C12H13CuN4O13.5
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 851-853
8104894 CIFC12 H18 Ag2 N4 O8 S2P 1 21/c 110.7841; 8.014; 11.722
90; 117.278; 90
900.4He, Ze-Rong; Zhao, Han-Lin; Jiang, Jin-Ke; Cheng, Hao-Feng; Cheng, Jie; Dong, Xian-Wu
Crystal structure of poly[aqua(μ3-2,4-diamino-benzenesulfonato-κ4 N:N ′,O:O′)silver(I)], C12H18O8N4S2Ag2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 105-106
8104683 CIFC22 H24 N4P -19.217; 9.774; 10.843
96.77; 101.791; 105.873
903.9Dey, Lucky; Rabi, Saswata; Begum, Zinnat A.; Takase, Tsugiko; Rahman, Ismail M. M.; Tiekink, Edward R. T.; Roy, Tapashi Ghosh
Redetermination of the crystal structure of (2E,4Z,13E,15Z)-3,5,14,16-tetramethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaene, C22H24N4
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1121-1124
8104563 CIFC20 H24 N2 O4P 1 21 111.0474; 6.0853; 13.9881
90; 104.271; 90
911.36Orang-o, Daniel M.; Onani, Martin O.; Tarus, Paul K.; Lutta, Samuel T.; Lalancette, Roger A.
Crystal structure of 2,2′-(butane-1,4-diylbis(azanylylidene))bis(methanylylidene))bis(4-methoxyphenol), C20H24N2O4
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1191-1193
8104696 CIFC6 H9 I N2 O3P 1 21/c 19.3654; 8.0312; 12.7668
90; 107.825; 90
914.16Zeng, Yan; Du, Chao-Jun
The crystal structure of 2-amino-5-carboxypyridin-1-ium iodide monohydrate, C6H9IN2O3
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 735-736
8104739 CIFC9 H11 N O SP 1 21/n 16.0194; 20.9249; 7.7103
90; 107.783; 90
924.75Yoo, Miri; Koh, Dongsoo
Crystal structure of (E)-3-(dimethylamino)-1-(thiophen-3-yl)prop-2-en-1-one, C9H11NOS
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 871-872
8104944 CIFC3 H5 Cl O2P 1 21/c 15.2011; 7.4362; 24.1175
90; 94.594; 90
929.78Hosten, Eric C.; Betz, Richard
The crystal structure of 3-chloropropionic acid, C3H5ClO2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 273-275
8104646 CIFC8 H12 N2 O3 SP 1 21/n 16.0324; 7.1692; 21.6655
90; 97.022; 90
929.95Zhu, Yanfang; Xu, Guiyang; Song, Wenqi; Miao, Zongcheng
The crystal structre of 3-(1-ethenyl-1H-imidazol-3-ium-3-yl)propane-1-sulfonate, C8H12N2O3S
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 993-994
8104755 CIFC16 H11 N5 O10 SP -14.6658; 12.2129; 17.0355
74.925; 86.398; 88.04
935.31Cao, Huizhi; Yan, Mi; Huang, Shiliang; He, Xuan; Cao, Xiong
Crystal structure of 2,4,7,9-tetranitro-10H-benzofuro[3,2-b]indole – dimethyl sulfoxide (1/1), C16H11N5O10S
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 523-525
8104813 CIFC23 H16 Br N OP -19.914; 10.141; 10.179
90.177; 112.202; 95.167
942.9Pan, Fei; Wei, Xian; Lv, Menglan Lan
Crystal structure of (Z)-3-(6-bromo-1H-indol-3-yl)-1,3-diphenylprop-2-en-1-one, C23H16BrNO
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 305-306
8104735 CIFC24 H19 N O2P -18.358; 10.22; 11.227
85.25; 81.35; 88.72
944.8Usman, Rabia; Khan, Arshad; Al-Hazmi, Ghaferah H.; Refat, Moamen S.; He, Nongyue
Synthesis and crystal structure of (1E,2E)-3-(anthracen-9-yl)-1-(4-methoxyphenyl)prop-2-en-1-one oxime, C24H19NO2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 861-862
8104692 CIFC6 H10 I N3 O3P 1 21/n 17.0704; 15.7781; 9.1495
90; 112.114; 90
945.61Du, Chao-Jun; Niu, De-Long; Zheng, Shi-Li; Zeng, Yan
The crystal structure of 2-amino-5-nitroanilinium iodide monohydrate, C6H8IN3O2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 725-726
8104661 CIFC36 H36 F6 N12 Ni SiP -39.5965; 9.5965; 11.8821
90; 90; 120
947.65Xu, Xi-Ting; Dong, Tong-Min; Song, Wei; Zhong, Kai-Long
Crystal structure of poly[bis[μ 3-1,3,5-tris[(1H-imidazol-1-yl)methyl]benzene-κ 3 N:N′:N″]nickel(II)] hexafluorosilicate, C36H36N12NiSiF6
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1043-1045
8104865 CIFC12 H9 N SP 1 21/n 15.0743; 14.0545; 13.3319
90; 91.102; 90
950.61Hosten, Eric C.; Betz, Richard
The crystal structure of 2-methyl-β-naphthothiazole, C12H9NS
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 483-485
8104814 CIFC20 H21 F2 N O4P -18.6363; 9.9144; 11.8734
81.891; 72.889; 80.972
954.7Shin, Soon Young; Yoo, Miri; Koh, Dongsoo
The crystal structure of ethyl 2-amino-4-(3,5-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, C20H21F2NO4
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 307-309
8104713 CIFC17 H32 Br N OP -15.344; 7.871; 23.614
95.99; 95.747; 98.386
970.5Sun, Yanwen; Chen, Zhen; Wang, Xiaozhong
The crystal structure of 1-dodecylpyridin-1-ium bromide monohydrate, C17H32BrNO
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 791-793
8104925 CIFC6 Cl2 N4 O5P 21 21 216.0044; 8.966; 18.0544
90; 90; 90
971.97Wang, Haifang
The crystal structure of 3,5-dichloro-6-diazo-2,4-dinitrocyclohexa-2,4-dien-1-one, C6Cl2N4O5
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 213-214
8104610 CIFC20 H19 N O10 SP -18.347; 9.6701; 12.9523
102.413; 103.199; 97.753
975.26Chen, Hai-Lin; Huang, Xiu-Xiang; Yao, Dong-Mei; Wang, Yan-Ping; Lu, Xiao-Bing
Synthesis and crystal structure of 5-(8-((3-carboxyazetidin-1-ium-1-yl)methyl)-7-hydroxy-4-oxo-4H-chromen-3-yl)-2-hydroxybenzenesulfonate monohydrate, C20H19NO10S
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1371-1373
8104659 CIFC24 H16 F N3 O2P 1 21 16.0024; 19.474; 8.3531
90; 91.75; 90
975.94Atioğlu, Zeliha; Karataş, Halis; Kökbudak, Zülbiye
The crystal structure of 5-benzoyl-1-[(E)-(4-fluorobenzylidene)amino]-4-phenylpyrimidin-2(1H)-one, C24H16FN3O2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 1035-1037
8104780 CIFC8 H8 N4 O3 ZnP -4 c 27.34; 7.34; 18.285
90; 90; 90
985.1Zheng, Huan; Feng, Sisi; Lu, Liping
Crystal structure of poly[dipoly[aqua-di(µ2-pyrazin-2-olato-κ2 N:N′) zinc(II)], C8H8N4O3Zn
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 609-611
8104800 CIFC15 H17 Cd N5 O2 S2P -19.6685; 10.4511; 11.284
100.763; 114.948; 96.816
990.36Xu, Qin-Juan
Crystal structure of catena-poly[bis(μ 2-thiocyanato-κ2 N:S)-(2-(5-methyl-1H-pyrazol-3-yl)pyridine-κ2 N,N′)cadmium(II)]–dioxane (1/1), C15H17CdN5O2S2
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 683-684
8104802 CIFC20 H18 Cd N O7P -19.9506; 10.1867; 11.2774
110.528; 93.83; 107.307
1003.17Chen, Shi-Jun; Cao, Xin; Ma, Xin-Dong; Xi, Zhong-Chen; Li, Shi-Hui
Crystal structure of catena-poly[tetraaqua-(μ2-4,4′-bipyridine-k2 N:N′)-bis(μ2-4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylato-k4 O,O′:O″,O′″)dicadmium(II)] dihydrate, C20H20NO7Cd
Zeitschrift für Kristallographie - New Crystal Structures, 2021, 236, 689-691

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