Crystallography Open Database

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2010096 CIF
Paper
O20 P5 Rb3 Ti3P c a 2118.281; 6.2932; 14.773
90; 90; 90
1699.6Duhlev, R.
Rb~3~Ti~2~(TiO)(PO~4~)~3~P~2~O~7~: A new non-centrosymmetric titanyl phosphate
Acta Crystallographica Section C, 1994, 50, 1523-1525
2010152 CIF
Paper
C18 H20 O4P c a 2119.863; 8.644; 9.417
90; 90; 90
1616.9Ala, P.; Yang, D.S.C.
5-Ethoxy-6-[1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole
Acta Crystallographica Section C, 1994, 50, 1832-1834
2010167 CIF
Paper
C10 H10 N2 O3P c a 218.0934; 19.998; 11.926
90; 90; 90
1930.2Wouters, Johan; Evrard, Guy; Durant, Francois
The molecular structure of caroxazone, a reversible monoamine oxidase inhibitor
Acta Crystallographica Section C, 1994, 50, 1774-1777
2010215 CIF
Paper
C17 H22 O6P c a 2111.405; 8.354; 17.142
90; 90; 90
1633.2Bolte, M.; Beck, H.; Nieger, M.; Egert, E.
Structural investigation of some lactides
Acta Crystallographica Section C, 1994, 50, 1717-1721
2010248 CIF
Paper
C6 H9 N O3P c a 218.938; 10.207; 7.788
90; 90; 90
710.5Takenaka, Yasuyuki; Ohashi, Yuji; Kanazawa, Hitoshi
<small>DL</small>-Valine NCA
Acta Crystallographica Section C, 1994, 50, 1950-1952
2010334 CIF
Paper
C12 H22 S2P c a 2110.041; 17.962; 7.259
90; 90; 90
1309.2Gabriele Bocelli; Andrea Cantoni; Pietro Cozzini
Stereochemistry of rings. XVIII. 8-<i>tert</i>-Butyl-1,4-dithiaspiro[4.5]decane
Acta Crystallographica Section C, 1994, 50, 2098-2100
2010480 CIFC24 H27 N3 O3P c a 2115.518; 16.427; 8.46
90; 90; 90
2157Adam, David; McCabe, Peter H.; Sim, George A.; Bouchemma, Ahcene
Conformational Study of 1,3,5-Tris(o-methoxyphenyl)-1,3,5-triazacyclohexane and 1,3,5-Tris(p-methoxyphenyl)-1,3,5-triazacyclohexane
Acta Crystallographica Section C, 1995, 51, 246-249
2010536 CIF
HKL
Paper
C17 H10 N2 O2P c a 2125.7526; 4.2348; 11.2966
90; 90; 90
1231.97Copp, Brent R.; Lindsay, Brent S.; Oliver, Allen G.; Rickard, Clifton E. F.
11-Methylpyrido[2,3-<i>b</i>]acridine-5,12-dione
Acta Crystallographica Section C, 2000, 56, 102-103
2010545 CIF
Paper
C6 H8 Cl2 Hg N4 S2P c a 217.5296; 13.7209; 11.7587
90; 90; 90
1214.8Pavlović, Gordana; Popović, Zora; Soldin, Željka; Matković-Čalogović, Dubravka
A 1:2 complex of mercury(II) chloride with 1,3-imidazole-2-thione
Acta Crystallographica Section C, 2000, 56, 61-63
2010789 CIF
HKL
Paper
C19 H26 Cl N OP c a 2116.427; 15.195; 7.194
90; 90; 90
1795.7Hempel, Andrew; Camerman, Norman; Dauter, Zbigniew; Mastropaolo, Donald; Camerman, Arthur
The antiestrogen [2-(4-benzylphenoxy)ethyl]diethylammonium chloride
Acta Crystallographica Section C, 2000, 56, 455-456
2011004 CIF
Paper
C7 H8 Hg Mn N4 O2 S4P c a 2116.2046; 7.2974; 13.509
90; 90; 90
1597.5Wang, Xin-Qiang; Yu, Wen-Tao; Xu, Dong; Lu, Meng-Kai; Yuan, Duo-Rong; Lu, Guang-Tian
Manganese mercury thiocyanate (MMTC) glycol monomethyl ether
Acta Crystallographica Section C, 2000, 56, 647-648
2011134 CIF
HKL
Paper
C8 H12 Hg I2 N4 S2P c a 2111.543; 13.996; 9.918
90; 90; 90
1602.3Pavlović, Gordana; Popović, Zora; Soldin, Željka; Matković-Čalogović, Dubravka
Diiodobis(1-methyl-1,3-imidazolium-2-thiolato-<i>S</i>)mercury(II)
Acta Crystallographica Section C, 2000, 56, 801-803
2011149 CIF
HKL
Paper
C20 H34 Cl4 Mo N3P c a 2119.7025; 7.766; 16.7929
90; 90; 90
2569.5Modec, Barbara; Brenčič, Jurij V.; Golič, Ljubo
A 4-ethylpyridine complex of tetrachloromolybdenum(III) and its oxidation product
Acta Crystallographica Section C, 2000, 56, 780-782
2011232 CIFC17 H28 Cl N O2P c a 2126.23; 5.881; 11.448
90; 90; 90
1766Vega, Daniel; Fernández, Daniel; Echeverría, Gustavo
1-[2-(1-Hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]dimethylammonium chloride (venlafaxine hydrochloride)
Acta Crystallographica Section C Crystal Structure Communications, 2000, 56, 1009-1010
2011363 CIF
HKL
Paper
C14 H8 N2 O4 SP c a 217.0127; 12.524; 14.477
90; 90; 90
1271.5Kovalevsky, A. Yu.; Ponomarev, I. I.; Baranova, M. A.
2-[2-(5-Nitro-2-thienyl)ethenyl]-4<i>H</i>-3,1-benzoxazine-4-one, 2-[2-(4-nitrophenyl)ethenyl]-4<i>H</i>-3,1-benzoxazine-4-one and 6,7-dimethoxy-2-[2-(4-nitrophenyl)ethenyl]-4<i>H</i>-3,1-benzoxazine-4-one
Acta Crystallographica Section C, 2000, 56, e408-e409
2011371 CIF
HKL
Paper
C8 H8 Cu N6 O6P c a 219.987; 8.451; 14.233
90; 90; 90
1201.3Riggio, Ivonne; Albada, Gerard A. van; Mutikainen, Ilpo; Turpeinen, Urho; Reedijk, Jan
<i>catena</i>-Poly[[bis(nitrato)(pyrimidine)copper(II)]-μ-pyrimidine-<i>N</i>:<i>N</i>']
Acta Crystallographica Section C, 2000, 56, e380-e381
2011920 CIF
HKL
Paper
C18 H24 N O4 PP c a 2130.992; 8.613; 6.721
90; 90; 90
1794Kumara Swamy, K. C.; Said, Musa A.
Cyclohexylammonium 2'-hydroxy-2-biphenyl phosphonate
Acta Crystallographica Section C, 2001, 57, 491-492
2012005 CIF
HKL
Paper
C8 H6 O5 ZnP c a 218.3887; 6.0883; 16.8795
90; 90; 90
862.09Otto, Thomas J.; Wheeler, Kraig A.
Aqua(benzene-1,3-dicarboxylato)zinc(II)
Acta Crystallographica Section C, 2001, 57, 704-705
2012090 CIF
Paper
C16 H15 N O2P c a 2114.161; 27.913; 6.7018
90; 90; 90
2649.1O'Leary, Jane; Wallis, John D.; Wood, Michael L.
1,6-Interactions between dimethylamino and aldehyde groups in two biphenyl derivatives
Acta Crystallographica Section C, 2001, 57, 851-853
2012161 CIF
HKL
Paper
C12 H10 N2 O2P c a 2114.7077; 10.1602; 6.7878
90; 90; 90
1014.32McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.; Low, John Nicolson; Glidewell, Christopher
Hydrogen-bonded chains in <i>N</i>-(2-nitrophenyl)phenylamine
Acta Crystallographica Section C, 2001, 57, 946-948
2012301 CIF
HKL
Paper
C14 H24 Br2 Cu N4P c a 2117.4947; 9.873; 11.1165
90; 90; 90
1920.1Liu, Xiaoming; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.
Two complexes of CuBr~2~ with 5-<i>tert</i>-butylpyrazole
Acta Crystallographica Section C, 2001, 57, 1253-1255
2012364 CIF
HKL
Paper
C13 H24 Cu N4 O7P c a 2124; 8.531; 9.369
90; 90; 90
1918.2Xiong, Ya; Tong, Mingliang; An, Taicheng; Karlsson, Hans T.
Aquabis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)(malonato-κ^2^<i>O</i>,<i>O</i>')copper(II) dihydrate
Acta Crystallographica Section C, 2001, 57, 1385-1387
2012406 CIF
HKL
Paper
C36 H24 Eu F9 N2 O6 S3P c a 2120.781; 10.7159; 17.8255
90; 90; 90
3969.5Zheng, Zhiping; Wang, Jiafu; Liu, Hui; Carducci, Michael D.; Peyghambarian, Nasser; Jabbourb, Ghassan E.
A triboluminescent europium(III) complex
Acta Crystallographica Section C, 2002, 58, m50-m52
2012418 CIF
HKL
Paper
O9 P2 V2P c a 217.7004; 9.5777; 16.5825
90; 90; 90
1222.99Geupel, Sandra; Pilz, Katrin; van Smaalen, Sander; Büllesfeld, Frank; Prokofiev, Andrei; Assmus, Wolf
Synchrotron-radiation study of the two-leg spin-ladder (VO)~2~P~2~O~7~ at 120K
Acta Crystallographica Section C, 2002, 58, i9-i13
2012430 CIF
HKL
Paper
C30 H28 N4 O5 PdP c a 2124.41; 14.479; 7.63
90; 90; 90
2697Centore, Roberto; Roviello, Antonio; Tuzi, Angela; Panunzi, Barbara
Two orthopalladated chromophores
Acta Crystallographica Section C, 2002, 58, m26-m28
2012439 CIF
HKL
Paper
C14 H20 N4 O3P c a 2127.1214; 7.1327; 7.4776
90; 90; 90
1446.53Usman, Anwar; Chantrapromma, Suchada; Fun, Hoong-Kun; Poh, Bo-Long; Karalai, Chatchanok
A 1:1 adduct of hexamethylenetetramine and 4-hydroxy-3-methoxybenzaldehyde
Acta Crystallographica Section C, 2002, 58, o48-o50
2012509 CIF
HKL
Paper
C11 H12 O3P c a 216.203; 7.259; 22.657
90; 90; 90
1020.2Bujak, Maciej; Zaleski, Jacek; Prezhdo, Victor; Uspenskiy, Boris
Methyl 3-(4-methoxyphenyl)prop-2-enoate
Acta Crystallographica Section C, 2002, 58, o76-o77
2012619 CIF
HKL
Paper
C22 H24 O3P c a 2113.3194; 7.7311; 16.5545
90; 90; 90
1704.68Liu, Xiaoming; Kilner, Colin A.; Halcrow, Malcolm A.
3,4-(4-Methoxybenzo):8,9-benzobicyclo[4.4.1]undeca-3,8-dien-11-one ethylene acetal
Acta Crystallographica Section C, 2002, 58, o218-o219
2012657 CIF
HKL
Paper
C6 H7 N O3 SP c a 217.5113; 7.2791; 13.898
90; 90; 90
759.9Low, John N.; Glidewell, Christopher; .
A quasi-diamondoid hydrogen-bonded framework in anhydrous sulfanilic acid
Acta Crystallographica Section C, 2002, 58, o209-o211
2012931 CIF
HKL
Paper
C12 H11 N3 OP c a 2117.779; 5.535; 10.652
90; 90; 90
1048.2Ejsmont, Krzysztof; Broda, Małgorzata; Domański, Andrzej; Kyzioł, Janusz B.; Zaleski, Jacek
Orthorhombic polymorphs of two <i>trans</i>-4-aminoazoxybenzenes
Acta Crystallographica Section C, 2002, 58, o545-o548
2013030 CIFC15 H14 N4P c a 2110.69; 5.5066; 21.363
90; 90; 90
1257.5Lynch, Daniel E.; McClenaghan, Ian
1-(2-Pyridyl)ethan-1-one (8-quinolyl)hydrazone and 1-(1H-pyrrol-2-yl)ethan-1-one (8-quinolyl)hydrazone
Acta Crystallographica, Section C, 2002, 58, o642-o644
2013039 CIF
HKL
Paper
C19 H22 O3P c a 2125.6945; 16.0188; 7.975
90; 90; 90
3282.5Masci, Bernardo; Levi Mortera, Stefano; Varrone, Maurizio; Thuéry, Pierre
(±)-6-<i>tert</i>-Butyl-8-hydroxymethyl-2-phenyl-4<i>H</i>-1,3-benzodioxin and 2,2,2',2',6,6'-hexamethyl-8,8'-methylenebis(4<i>H</i>-1,3-benzodioxin)
Acta Crystallographica Section C, 2002, 58, o649-o651
2013114 CIF
HKL
Paper
C58 H58 Co N12 O6P c a 2122.335; 10.9094; 22.1061
90; 90; 90
5386.4Halcrow, Malcolm A.; Kilner, Colin A.
Bis{2,6-bis[3-(2,4,6-trimethylphenyl)pyrazol-1-yl-κ<i>N</i>^2^]pyridine-κ<i>N</i>}cobalt(II) dinitrate at 290 and 150K
Acta Crystallographica Section C, 2003, 59, m61-m63
2013115 CIF
HKL
Paper
C58 H58 Co N12 O6P c a 2122.1974; 10.7761; 22.0365
90; 90; 90
5271.16Halcrow, Malcolm A.; Kilner, Colin A.
Bis{2,6-bis[3-(2,4,6-trimethylphenyl)pyrazol-1-yl-κ<i>N</i>^2^]pyridine-κ<i>N</i>}cobalt(II) dinitrate at 290 and 150K
Acta Crystallographica Section C, 2003, 59, m61-m63
2013209 CIF
HKL
Paper
C13 H10 I N3 O2P c a 2124.0858; 5.0699; 10.508
90; 90; 90
1283.16Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.
A chain of edge-fused rings generated by the combination of an N—H···O hydrogen bond and an iodo–nitro interaction in 2-iodobenzaldehyde 4-nitrophenylhydrazone <i>versus</i> disordered and effectively isolated molecules in 2-iodobenzaldehyde 2,4-dinitrophenylhydrazone
Acta Crystallographica Section C, 2003, 59, o98-o101
2013247 CIF
HKL
Paper
C16 H14 OP c a 2114.3719; 22.865; 7.0703
90; 90; 90
2323.4Muir, Kenneth W.; Morris, David G.; Ryder, Karl S.
(2<i>RS</i>)-5,6:7,8-Dibenzobicyclo[2.2.2]octan-2-ol
Acta Crystallographica Section C, 2003, 59, o283-o285
2013386 CIF
HKL
Paper
C8 H13 N5P c a 2115.07; 6.4292; 9.8694
90; 90; 90
956.2Lyakhov, Alexander S.; Voitekhovich, Sergey V.; Gaponik, Pavel N.; Ivashkevich, Ludmila S.
Non-linear optical crystals of 2,2,3-trimethyl-3-(1<i>H</i>-1,2,3,4-tetrazol-5-yl)butanenitrile
Acta Crystallographica Section C, 2003, 59, o388-o389
2013478 CIF
HKL
Paper
C18 H15 N O4 S2P c a 218.9402; 17.2777; 11.3437
90; 90; 90
1752.22Muir, Kenneth W.; Morris, David G.; Ryder, Karl S.
1,1-Bis(phenylsulfonyl)-1-(pyridinio)methanide
Acta Crystallographica Section C, 2003, 59, o376-o377
2013512 CIF
HKL
Paper
C17 H20 N2 O2P c a 2113.756; 12.7389; 8.5031
90; 90; 90
1490.05Thamotharan, S.; Parthasarathi, V.; Gupta, P.; Jindal, D.P.; Piplani, P.; Linden, Anthony
2-(2-Naphthyloxy)acetate derivatives. II. A new class of antiamnesic agents
Acta Crystallographica Section C, 2003, 59, o467-o469
2013692 CIF
HKL
Paper
C8 H8 Br3 N O2 TeP c a 217.371; 12.139; 28.274
90; 90; 90
2529.9Prabodhika Mallikaratchy; Richard E. Norman; Frank R. Fronczek; Thomas Junk
Tribromo(3,5-dimethyl-2-nitrophenyl-κ^2^<i>C</i>^1^,<i>O</i>)tellurium(IV), bromo(3,5-dimethyl-2-nitrophenyl-κ^2^<i>C</i>^1^,<i>O</i>)tellurium(II) and bromo(3,5-dimethyl-2-nitrosophenyl-κ^2^<i>C</i>^1^,<i>O</i>)tellurium(II)
Acta Crystallographica Section C, 2003, 59, o571-o574
2013816 CIF
Paper
C16 H16P c a 2112.016; 10.347; 19.233
90; 90; 90
2391.2Mehta, Goverdhan; Vanessa, Gagliardini; Islam, Kabirul; Kailasam Venkatesan
6a,6b,12a,12b-Tetrahydrocycloocta[3,4]cyclobuta[1,2][8]annulene
Acta Crystallographica Section C, 2004, 60, o90-o93
2014019 CIF
Paper
C2 H11 N O9 S ZnP c a 218.44; 8.278; 12.521
90; 90; 90
874.8Michel Fleck; Ladislav Bohatý
Three novel non-centrosymmetric compounds of glycine: glycine lithium sulfate, glycine nickel dichloride dihydrate and glycine zinc sulfate trihydrate
Acta Crystallographica Section C, 2004, 60, m291-m295
2014118 CIF
HKL
Paper
C10 H14 B Br N2 O2P c a 2110.7716; 7.0104; 15.5546
90; 90; 90
1174.6Sopková-de Oliveira Santos, Jana; Bouillon, Alexandre; Lancelot, Jean-Charles; Rault, Sylvain
2-(6-Bromopyridin-2-yl)-6-methyl-[1,3,6,2]dioxazaborocane, a new stable (pyridin-2-yl)boronic acid derivative
Acta Crystallographica Section C, 2004, 60, o582-o584
2014121 CIF
HKL
Paper
C19 H18 N2 O4 SP c a 2119.479; 5.61; 33.586
90; 90; 90
3670.2Charlier, Caroline; Norberg, Bernadette; Goossens, Laurence; Hénichart, Jean-Pierre; Durant, François
1-[4-(Methylsulfonyl)phenyl]-5-phenyl-1<i>H</i>-pyrazole derivatives
Acta Crystallographica Section C, 2004, 60, o648-o652
2014516 CIF
HKL
Paper
C25 H52 Ca Mo12 N7 O46 PP c a 2138.293; 13.246; 12.888
90; 90; 90
6537.2Xue-Jie Tan; Si-Xiu Sun; Jian-Ping Ma; Lian-Dong Liu; Yu-Bin Dong; Wen-Tao Yu; Dian-Xiang Xing
1,4-Dimethylpyridinium hexakis(dimethylformamide-κ<i>O</i>)calcium(II) dodecamolybdophosphate
Acta Crystallographica Section C, 2004, 60, m476-m478
2014656 CIF
Paper
C15 H10 Cl F4 N O3P c a 2122.887; 7.25; 9.497
90; 90; 90
1575.8Li, Bin; Lan, Yu-Ming; Hsu, Chi-Tung; Liu, Zhen-Long; Song, Hai-Bin; Wu, Chao; Yang, Hua-Zheng
Three trifluoromethyl-substituted protoporphyrinogen IX oxidase inhibitors
Acta Crystallographica Section C, 2005, 61, o122-o126
2014718 CIF
HKL
Paper
C38 H34 Mn2 N6 O8P c a 2120.8346; 8.0289; 21.3189
90; 90; 90
3566.2Zhang, Quan-Zheng; Lu, Can-Zhong
Di-μ-acetato-bis[bis(4-aminobenzoato)(2,2'-bipyridyl)manganese(II)]
Acta Crystallographica Section C, 2005, 61, m78-m80
2014972 CIF
HKL
Paper
C12 H14 Br Cu N3 O SP c a 2111.767; 7.418; 33.87
90; 90; 90
2956.4You, Zhong-Lu
<i>catena</i>-Poly[[{4-bromo-2-[2-(dimethylamino)ethyliminomethyl]phenolato}copper(II)]-μ-thiocyanato]
Acta Crystallographica Section C, 2005, 61, m406-m408
2014978 CIF
HKL
Paper
Ge4 Se9P c a 2117.805; 7.002; 12.071
90; 90; 90
1504.9Jung-Eun Kwak; Hoseop Yun
Reinvestigation of Ge~4~Se~9~ based on single-crystal data
Acta Crystallographica Section C, 2005, 61, i81-i82
2015077 CIF
HKL
Paper
C5 H2 N4P c a 2113.3146; 5.7488; 7.1774
90; 90; 90
549.38Tafeenko, Viktor A.; Paseshnichenko, Ksenia A.; Ershov, Oleg V.; Eremkin, Andrey V.; Aslanov, Leonid A.
The twofold interpenetrated three-connected three-dimensional (10,3)-net in 2-aminoethene-1,1,2-tricarbonitrile
Acta Crystallographica Section C, 2005, 61, o434-o437

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