Crystallography Open Database

Result: there are 128 entries in the selection

Switch to the old layout of the page

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)

Searching journal of publication like 'IUCrData' volume of publication is 4

Blue left arrow Blue left arrow First | Blue left arrow Previous 50 | of 3 | Next 50 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
1551020 CIF
HKL
Paper
C12 H12 O3P b c a10.8313; 7.618; 24.1463
90; 90; 90
1992.38Lough, Alan J.; Hill, Jarvis; Tam, William
1-[(1<i>R</i>*,2<i>R</i>*)-1,2-Dihydroxy-1,2-dihydronaphthalen-1-yl]ethan-1-one
IUCrData, 2019, 4, x190609
1551058 CIF
HKL
Paper
C10 H13 N3 O3P -17.774; 8.4772; 9.6599
66.595; 77.917; 76.113
562.49Ruan, Yao; Zhao, Hui
(<i>E</i>)-<i>N</i>'-Hydroxy-<i>N</i>,<i>N</i>-dimethyl-2-(3-nitrophenyl)acetimidamide
IUCrData, 2019, 4, x190607
1551059 CIF
HKL
Paper
C28 H32 N2 O32 S4 Zn5P -17.3573; 11.2345; 12.9215
74.215; 78.085; 85.178
1005.17Yu, Jiamei; Wang, De-Chao; Wang, Bin
Polymeric poly[[decaaquabis(μ~6~-1,8-disulfonato-9<i>H</i>-carbazole-3,6-dicarboxylato)di-μ~3~-hydroxy-pentazinc] decahydrate]
IUCrData, 2019, 4, x190667
1551060 CIF
HKL
Paper
C12 H8 Cl2 O2P 1 21/n 16.8542; 19.9526; 7.6704
90; 95.762; 90
1043.7Dhakal, Ram; Parkin, Sean; Lehmler, Hans-Joachim
2,3-Dichloro-3',4'-dihydroxybiphenyl
IUCrData, 2019, 4, x190662
1551061 CIF
HKL
Paper
C10 H20 N2 O12C 1 2/c 121.1667; 6.6243; 11.3247
90; 91.509; 90
1587.34Toure, Assane; Diop, Cheikh Abdoul Khadir; Diop, Libasse; Plasseraud, Laurent; Cattey, Hélène
Ethylammonium hydrogen oxalate–oxalic acid (2/1)
IUCrData, 2019, 4, x190635
1551062 CIF
HKL
Paper
C5 H8 N2 O SP 1 21/n 16.944; 12.1354; 8.8283
90; 98.888; 90
735.01Josey, Daniel; Shank, Nathaniel; Padgett, Clifford W.
2-Amino-5,5-dimethylthiazol-4(5<i>H</i>)-one
IUCrData, 2019, 4, x190613
1551069 CIF
HKL
Paper
C4 H11 N5 O6 SP -17.0128; 7.9882; 9.0732
74.121; 86.734; 79.29
480.36Tapmeyer, Lukas; Prill, Dragica
6-Amino-2-iminiumyl-4-oxo-1,2,3,4-tetrahydropyrimidin-5-aminium sulfate monohydrate
IUCrData, 2019, 4, x190689
1551092 CIF
HKL
Paper
C24 H62 N2 O7 SP -16.9477; 10.8782; 20.8769
89.11; 87.052; 78.876
1546.13Liu, Jiapan; Di, Youying; Chen, Fengying
Dodecan-1-aminium sulfate trihydrate
IUCrData, 2019, 4, x190704
1551159 CIF
HKL
Paper
C24 H26 S2P 1 21/c 18.4487; 23.7284; 10.4078
90; 104.698; 90
2018.22Garita-Salazar, Bruno; Pineda, Leslie W.
1,3-Bis{[(2,6-dimethylphenyl)sulfanyl]methyl}benzene
IUCrData, 2019, 4, x190677
1551194 CIF
HKL
Paper
Ba H2 O4 TeP 1 21/a 18.6061; 7.582; 7.7252
90; 105.88; 90
484.843Weil, Matthias
Redetermination of the crystal structure of BaTeO3(H2O), including the localization of the hydrogen atoms
IUCrData, 2019, 4, x190770
1551244 CIF
HKL
Paper
C13 H10 I N OP c a 217.0848; 26.422; 6.2664
90; 90; 90
1173Swetha, G.; Ida Malarselvi, R.; Ramachandra Raja, C.; Thiruvalluvar, A.; Priscilla, J.
(E)-4-Iodo-2-[(phenylimino)methyl]phenol
IUCrData, 2019, 4, x190788
1551354 CIF
HKL
Paper
C32 H44 Co N6 O4 S2P 1 21/c 123.194; 9.825; 16.475
90; 106.154; 90
3606.1Nithya, Palanivelu; Govindarajan, Subbiah; Simpson, Jim
Bis[benzyl 2-(heptan-4-ylidene)hydrazine-1-carboxylate]bis(thiocyanato)cobalt(II)
IUCrData, 2019, 4, x190812
1551445 CIF
HKL
Paper
C10 H13 Cl N2 O4P 1 21/c 114.7115; 4.9598; 17.3105
90; 112.96; 90
1163Manickam, R.; Prabhaharan, M.; Jagadeesan, G.; Rajakannan, V.; Srinivasan, G.
2-Amino-6-chloropyridine–glutaric acid (1/1)
IUCrData, 2019, 4, x190781
1551865 CIF
HKL
Paper
C5 H6 N2 O2C 1 2/c 120.572; 3.9052; 14.811
90; 110.95; 90
1111.2Portalone, Gustavo
6-Methyluracil: a redetermination of polymorph (II)
IUCrData, 2019, 4, x190861
1552081 CIF
HKL
Paper
C18 H15 I SiC 1 2/c 116.0488; 11.2984; 19.648
90; 112.379; 90
3294.4Schödel, Frauke; Lerner, Hans-Wolfram; Trageser, Timo; Bolte, Michael
Iodo(triphenyl)silane
IUCrData, 2019, 4, x190959
1552082 CIF
HKL
Paper
C18 H16 Cd2 O12P -16.3966; 11.7504; 13.3579
104.407; 96.978; 93.267
961.3Gaskin, Gabrielle J.; LaDuca, Robert L.
Poly[diaqua[μ4-2-(carboxylatomethoxy)benzoato][μ2-2-(carboxylatomethoxy)benzoato]dicadmium(II)]
IUCrData, 2019, 4, x190953
1552104 CIF
HKL
Paper
C14 H14 Cl F N2 O2 SP -17.2599; 9.4979; 11.9596
106.149; 90.236; 108.939
745.18Shraddha, K. N.; Devika, S.; Begum, Noor Shahina
Ethyl 4-(4-chloro-3-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
IUCrData, 2019, 4, x190960
1552105 CIF
HKL
C8 H20 B O10P 21 21 27.0809; 16.7912; 6.5001
90; 90; 90
772.84Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram
Bis(2-methyllactato)borate tetrahydrate
IUCrData, 2019, 4, x190982
1552106 CIF
HKL
C26 H38 O15P 1 21 111.1629; 8.7778; 15.3748
90; 101.558; 90
1475.96Bollard, H. E.; Banwell, M. G.; Ward, J. S.
(2<i>S</i>,3<i>S</i>,4<i>R</i>,4a'<i>R</i>,5<i>R</i>,5a'<i>R</i>,11a'<i>R</i>,12'<i>S</i>,12a'<i>R</i>)-5-(Acetoxymethyl)-2',2',10',10'-tetramethyloctahydro-3<i>H</i>,8'<i>H</i>-spiro[furan-2,7'-[1,3]dioxino[4',5':5,6]pyrano[3,2-<i>d</i>][1,3,6]trioxocine]-3,4,12'-triyl triacetate
IUCrData, 2019, 4, x190986
1552113 CIF
HKL
Paper
C22 H26 Br2 Cl2 N4 O PdP 21 21 2117.667; 12.8871; 11.7476
90; 90; 90
2674.65Liu, Qilin; Mao, Pu; Yuan, Jinwei; Xiao, Yongmei; Yang, Liangru
Dibromido[<i>N</i>-(1-diethylamino-1-oxo-3-phenylpropan-2-yl)-<i>N</i>'-(pyridin-2-yl)imidazol-2-ylidene]palladium(II) dichloromethane monosolvate
IUCrData, 2019, 4, x190899
1552114 CIF
HKL
Paper
C21 H16 O2P 1 21/c 19.384; 11.032; 14.827
90; 102.609; 90
1497.9McCoy, Ryan N.; Robertson, Katherine N.; Ylijoki, Kai E. O.
7-(Biphenyl-4-yl)-6-hydroxyindan-1-one
IUCrData, 2019, 4, x190951
1552117 CIF
HKL
Paper
C32 H22 F12 N4 O2P b c n13.479; 11.213; 22.552
90; 90; 90
3408.5Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Mukhtarova, Sevinc H.; Mammadova, Gunay Z.; Toze, Flavien A. A.
(1<i>Z</i>,2<i>Z</i>)-1,2-Bis(2-(3,5-bis(trifluoromethyl)phenyl)hydrazineylidene)-1,2-bis(4-methoxyphenyl)ethane including an unknown solvate
IUCrData, 2019, 4, x191010
1552118 CIF
HKL
Paper
C12 H6 Cl4 I2P -15.4399; 6.3599; 11.0232
96.702; 92.728; 98.599
373.69Bosch, Eric
1,2,4,5-Tetrachloro-3,6-diiodobenzene benzene monosolvate
IUCrData, 2019, 4, x190993
1552119 CIF
HKL
Paper
C12 H8 N4 O2P b c a14.265; 8.06; 17.564
90; 90; 90
2019.4Oosthuizen, U.; Schutte-Smith, M.; Visser, Hendrik G.
5-Amino-6-nitro-1,10-phenanthroline
IUCrData, 2019, 4, x191016
1552129 CIF
HKL
Paper
C8 H5 Cl F3 N OP 1 21/c 112.7307; 9.0363; 7.4742
90; 100.924; 90
844.24Gao, Jie; Pan, Yangdan; Li, Yahong; Li, Yafei
1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoroethan-1-one
IUCrData, 2019, 4, x191025
1552130 CIF
HKL
Paper
C10 H26 I2 N4 O PdP 1 21/n 19.3993; 13.7266; 13.8797
90; 93.9017; 90
1786.61Ha, Kwang
(1,4,8,11-Tetraazacyclotetradecane)palladium(II) diiodide monohydrate
IUCrData, 2019, 4, x191032
1552132 CIF
HKL
Paper
C16 H19 N SeP 21 21 215.767; 8.1908; 31.6737
90; 90; 90
1496.15Prabhu Kumar, K. M.; Palakshamurthy, B. S.; Jasinski, J. P.; Butcher, R. J.; Raghavendra Kumar, P.
(<i>S</i>)-1-(Benzylselanyl)-3-phenylpropan-2-amine
IUCrData, 2019, 4, x191029
1552133 CIF
HKL
Paper
C16 H16 Cl2 N2 O2 SP -18.3836; 8.478; 13.305
97.779; 101.929; 114.967
811.94Ibrahim, Mohammad M.; Al-Refai, Mahmoud; Ali, Basem F.; Geyer, Armin; Harms, Klaus; Marsch, Michael
3-(2,5-Dichlorothiophen-3-yl)-5-(2,4-dimethoxyphenyl)-1-methyl-4,5-dihydro-1<i>H</i>-pyrazole
IUCrData, 2019, 4, x191046
1552134 CIF
HKL
Paper
C42 H46 Ag2 N4 O4P -19.078; 10.473; 12.236
65.065; 77.42; 65.229
956.6Jayaraman, Selvakumar; Castillo Guel, Roberto Alexander; Malek, Kotiba; Arumugam, Kuppuswamy
Di-μ-acetato-bis{[3-benzyl-1-(2,4,6-trimethylphenyl)imidazol-2-ylidene]silver(I)}
IUCrData, 2019, 4, x191003
1552135 CIF
HKL
Paper
C31 H30 O6P -19.7053; 11.0901; 12.4156
68.0282; 81.7012; 86.4672
1226.25Täufer, Amely; Köckritz, Angela; Quint, Stephan; Spannenberg, Anke
8,13-Diisopropyl-10,11-dimethyl-bis([1,3]dioxolo[4',5':6,7]naphtho)[1,2-<i>d</i>;2,1-<i>f</i>][1,3]dioxepine
IUCrData, 2019, 4, x191018
1552143 CIF
HKL
Paper
C9 H6 O4 ZnP c a 219.6314; 4.8612; 17.269
90; 90; 90
808.54Jia, Jason; LaDuca, Robert L.
Poly[[μ~4~-4-(carboxylatomethyl)benzoato]zinc(II)]
IUCrData, 2019, 4, x191014
1552164 CIF
HKL
C73.5 H57.5 Cl4.5 N4 O14 Sn4P -112.8262; 22.1075; 28.9552
72.349; 79.8; 89.827
7689Butler, Patrick
Bis(μ2-4-nitrophenolato)bis(4-nitrophenolato)di-μ3-oxido-octaphenyltetratin chloroform sesquisolvate [+ solvate]: a tetranuclear stannoxane
IUCrData, 2019, 4, x191067
1552238 CIF
HKL
Paper
C17 H12 Cl Fe N OP 1 21 15.7854; 9.2974; 12.6443
90; 94.217; 90
678.29Sánchez-García, Jessica J.; Flores-Alamo, Marcos; Martínez-Falcón, Ezequiel; Klimova, Elena I.
5-Chloro-2-ferrocenylbenzo[<i>d</i>]oxazole
IUCrData, 2019, 4, x191096
1552239 CIF
HKL
Paper
C7 H4 N2 O3 SP 1 21/n 14.576; 15.755; 11.134
90; 100.45; 90
789.4Jebbari, Said; Abdellatif, El Kihel; Ahbala, Mustapha; Saadi, Mohamed; El Ammari, Lahcen
6-Nitro-1,3-benzoxazole-2(3<i>H</i>)-thione
IUCrData, 2019, 4, x191119
1552261 CIF
HKL
C8 H15 N3 SP 1 21/n 112.7584; 11.706; 13.3452
90; 92.273; 90
1991.5Singh, Mulveer; Anthal, Sumati; Sankpal, Sandeep S.; Deshmukh, Madhukar B.; Kant, Rajni
1-(Cycloheptylidene)thiosemicarbazide
IUCrData, 2019, 4, x191153
1552276 CIF
HKL
Paper
C17 H16 N2 O3P -18.2151; 9.285; 11.6086
108.184; 103.004; 105.089
765.64Krishnan, G. Anantha; Kumar, C. Udhaya; Mohandas, T.; Pillai, M. Velayutham; Sakthivel, P.
Allyl 6-amino-5-cyano-2-methyl-4-phenyl-4<i>H</i>-pyran-3-carboxylate
IUCrData, 2019, 4, x190054
1552281 CIF
HKL
Paper
C16 H12P -17.5009; 7.6819; 19.387
99.733; 100.641; 90.523
1081.1Detert, Heiner; Schollmeyer, Dieter
5,10-Dihydroindeno[2,1-<i>a</i>]indene
IUCrData, 2019, 4, x191179
1552297 CIF
HKL
Paper
C10 H18 Co K N5 O7 S4P 21 21 219.3713; 14.1059; 15.7347
90; 90; 90
2079.98Peppel, Tim; Detert, Sabine M. L.; Vogel, Christian; Köckerling, Martin
Crystal structure of a salt with a protonated sugar cation and a cobalt(II) complex anion: (GlcN‒H, K)[Co(NCS)~4~]·2H~2~O
IUCrData, 2019, 4, x191142
1552298 CIF
Paper
C6 H5 O3 P ZnP 1 21/c 114.8549; 5.1581; 10.5471
90; 105.816; 90
777.56Falvello, Larry; Lotti, Paolo; Massera, Chiara; Tarantino, Serena C.; Zema, Michele; Puschmann, Horst; Agbahoungbata, Marielle Y.; Andreo, Jacopo; Sahadevan, Suchithra Ashoka; Bismuto, Alessandro; Bonfant, Giulia; Bonou, Sourou A. S.; Carraro, Claudia; Zotti, Marta De; di Biase, Armando; Fantini, Riccardo; Ferraboschi, Ilaria; Custodio, Jean Marcos Ferreira; Frigerio, Matteo; Gallo, Gianpiero; Gjyli, Silvana; Goudjil, Meriem; Igoa, Fernando; Kahveci, Enver; Kalienko, Maksim; Lorenzon, Sofia; Macera, Ludovico; Fajardo, Joaqun Joaqun Manrique; Nushi, Enida; Ouaatta, Said; Parisi, Emmanuele; Pasqualetto, Leonardo; Pesko, Edyta; Pierri, Giovanni; Pinalli, Roberta; Poppe, Romy; Santoro, Antonio; Smirnova, Ekaterina; Sorbara, Simona; Tensi, Leonardo; Tusha, Gers
Poly[(μ~4~-phenylphosphonato)zinc(II)]
IUCrData, 2019, 4, x191222
1552299 CIF
HKL
Paper
C12 H8 Cl2 O2P 1 21/c 16.2198; 16.9271; 10.446
90; 101.013; 90
1079.53Dhakal, Ram; Parkin, Sean; Lehmler, Hans-Joachim
3-(3,5-Dichlorophenyl)benzene-1,2-diol
IUCrData, 2019, 4, x191202
1552300 CIF
HKL
Paper
C17 H20 O5P -17.5318; 11.0092; 18.1896
85.6; 87.945; 78.702
1474.34Gleede, Barbara; Oehl, Elisabeth K.; Schollmeyer, Dieter; Waldvogel, Siegfried R.
3,4',5,5'-Tetramethoxy-2'-methylbiphenyl-4-ol
IUCrData, 2019, 4, x191212
1552301 CIF
HKL
Paper
C34 H35 N O4P 1 21/c 19.1797; 30.203; 11.0131
90; 111.056; 90
2849.6Zhang, Sijing; Han, Heguo; Xu, Yahan; Ma, Wen; Wu, Jieying
7-{3-Ethoxy-4-[2-(2-methoxyethoxy)ethoxy]phenyl}-5,6,8,9-tetrahydrodibenzo[<i>c</i>,<i>h</i>]acridine
IUCrData, 2019, 4, x191205
1552316 CIF
HKL
Paper
C18 H16 Br4 Mn N2C 1 2/c 117.4314; 9.1871; 13.227
90; 93.7501; 90
2113.69Papa, Veronica; Spannenberg, Anke; Beller, Matthias; Junge, Kathrin
Bis(quinolinium) tetrabromidomanganate(II)
IUCrData, 2019, 4, x191231
1552317 CIF
HKL
Paper
C14 H20 N2 O3P -110.2673; 11.885; 12.839
90.601; 108.694; 108.797
1393.5Gehman, Zoë M.; Kassel, W. Scott; Piro, Nicholas A.
1:1 Co-crystal of 3-ethyl-4-methyl-3-pyrrolin-2-one and 3-ethyl-4-methyl-3-pyrroline-2,5-dione
IUCrData, 2019, 4, x191209
1552318 CIF
HKL
Paper
C6 H10 Cd O6I b a 210.238; 19.104; 9.463
90; 90; 90
1850.8Chen, Ao-Wei; Shi, Rong; Wang, Ce; Shi, Bi-Bo; Yin, Zheng
Poly[di(μ~2~-2-hydroxypropanoato)cadmium]
IUCrData, 2019, 4, x191255
1552332 CIF
HKL
Paper
C41 H72 Cs2 Mo N4 O17P 1 21/n 113.2243; 16.1431; 24.3966
90; 90.958; 90
5207.49Kaas, Marina; Korber, Nikolaus
Synthesis and crystal structure of [Cs([2.2.2]crypt)]~2~[Mo(CO)~5~]
IUCrData, 2019, 4, x191244
1552355 CIF
HKL
Paper
C44 H44 N4 O2 S2I m -318.1038; 18.1038; 18.1038
90; 90; 90
5933.5Selvakumar, Jayaraman; Arumugam, Kuppuswamy
1,1',3,3'-Tetramesitylquinobis(imidazole)-2,2'-dithione
IUCrData, 2019, 4, x191268
1552356 CIF
HKL
Paper
C21 H18 O4P n a 2114.822; 5.2416; 20.8364
90; 90; 90
1618.8Sung, Jiha
(<i>E</i>)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-en-1-one
IUCrData, 2019, 4, x191281
1552369 CIF
HKL
C6 H3 Br N2P 1 21/c 17.8821; 11.748; 7.4169
90; 113.906; 90
627.88Sharif, Muhammad; Razzaq, Rauf; Jackstell, Ralf; Spannenberg, Anke
3-Bromopyridine-2-carbonitrile
IUCrData, 2019, 4, x191326
1552370 CIF
HKL
Paper
C16 H16 N2 O6C 1 2/c 127.797; 3.975; 14.4569
90; 110.642; 90
1494.8El Alami, Abouelhaoul; Hamid, Sdassi; El Kihel, Abdellatif; Saadi, Mohamed; El Ammari, Lahcen
3,3'-[(1<i>E</i>,1'<i>E</i>)-Hydrazine-1,2-diylidenebis(ethan-1-yl-1-ylidene)]bis(4-hydroxy-6-methyl-2<i>H</i>-pyran-2-one)
IUCrData, 2019, 4, x191348

Blue left arrow Blue left arrow First | Blue left arrow Previous 50 | of 3 | Next 50 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!