Crystallography Open Database

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2015133 CIF
HKL
Paper
C22 H20 Cl Co N6 O6P c a 2114.802; 8.6144; 17.832
90; 90; 90
2273.8Adams, Harry; Shongwe, Musa S.; Al-Bahri, Ibtisam; Al-Busaidi, Eiman; Morris, Michael J.
Bis[(2-pyridyl)(2-pyridylamino)methanolato]cobalt(III) perchlorate: a consequence of cobalt ion-assisted oxidative deamination of a tris(pyridyl)aminal ligand
Acta Crystallographica Section C, 2005, 61, m497-m500
2015273 CIF
HKL
Paper
C11 H9 N3 SP c a 218.0954; 11.7686; 11.0026
90; 90; 90
1048.23Kavitha, Savaridasson Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Ferguson, George; Glidewell, Christopher
Simple hydrogen-bonded chains in 2,2'-bipyridinium thiocyanate, hydrogen-bonded chains of rings in 2,2'-bipyridinium picrate and hydrogen-bonded sheets in 2,2'-bipyridinium hydrogensulfate
Acta Crystallographica Section C, 2006, 62, o165-o169
2015370 CIF
HKL
Paper
C12 H48 B6 O7 U2P c a 2116.4251; 10.2676; 16.355
90; 90; 90
2758.2Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel
(18-Crown-6)-μ-oxo-hexakis(tetrahydroborato)diuranium(IV): an unprecedented asymmetric dinuclear complex
Acta Crystallographica Section C, 2006, 62, m243-m245
2015426 CIF
HKL
Paper
C11 H13 N O2P c a 2112.159; 8.5666; 9.9999
90; 90; 90
1041.6Vratislav Langer; Dalma Gyepesová; Eva Scholtzová; Jozef Lustoň; Juraj Kronek; Miroslav Koóš
2-(4-Hydroxyphenyl)-4,4-dimethyl-2-oxazoline: X-ray and density functional theory study
Acta Crystallographica Section C, 2006, 62, o416-o418
2015827 CIF
HKL
Paper
C20 H19 N O3P c a 2118.914; 6.88; 25.927
90; 90; 90
3374Yoriko Sonoda; Seiji Tsuzuki; Nobuyuki Tamaoki; Midori Goto
Four (<i>E</i>,<i>Z</i>,<i>E</i>)-1-(4-alkoxyphenyl)-6-(4-nitrophenyl)hexa-1,3,5-trienes
Acta Crystallographica Section C, 2007, 63, o196-o200
2015953 CIF
HKL
Paper
C17 H13 Cl N4 O2P c a 218.6963; 24.5966; 14.3247
90; 90; 90
3064Braendvang, Morten; Gundersen, Lise-Lotte
2-Chloro-6-(2-furyl)-9-(4-methoxybenzyl)-9<i>H</i>-purine
Acta Crystallographica Section C, 2007, 63, o274-o276
2015966 CIF
HKL
Paper
C12 H11 Cl N4 O4P c a 2115.0896; 11.5525; 7.8694
90; 90; 90
1371.81Ghazzali, Mohamed; Langer, Vratislav; Öhrström, Lars; Abu-Youssef, Morsy
4,4'-(Azinodimethylene)dipyridinium bis(tetrafluoroborate) and 4-[(4-pyridylmethylene)hydrazonomethyl]pyridinium perchlorate: two different hydrogen-bonding motifs
Acta Crystallographica Section C, 2007, 63, o312-o314
2016114 CIF
HKL
Paper
C10 H10 N2 OP c a 2115.0138; 5.2952; 10.9469
90; 90; 90
870.29Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher
Cyclic and acyclic products from the reactions between methyl 3-oxobutanoate and arylhydrazines
Acta Crystallographica Section C, 2007, 63, o462-o467
2016304 CIF
HKL
Paper
C12 H18 O2P c a 2120.8868; 6.00175; 17.3531
90; 90; 90
2175.34Gliński, Marek; Wilczkowska, Ewa; Madura, Izabela D.; Zachara, Janusz
Hydrogen-bonded networks in 1-(4-methoxyphenyl)-2,2-dimethylpropan-1-ol
Acta Crystallographica Section C, 2007, 63, o720-o722
2016475 CIF
Paper
C5 H5 Cu N4P c a 2111.536; 6.7868; 8.3073
90; 90; 90
650.4Pagola, Silvina; Pike, Robert D.; deKrafft, Kathryn; Tronic, Tristan A.
Poly[μ-2-aminopyrazine-κ^2^<i>N</i>^1^:<i>N</i>^4^-μ-cyanido-copper(I)]: a three-dimensional network from laboratory powder diffraction data
Acta Crystallographica Section C, 2008, 64, m134-m136
2016738 CIF
HKL
Paper
C9 H16 Cl N5P c a 2123.557; 9.9789; 20.3594
90; 90; 90
4785.9Quesada, Antonio; Fontecha, Maria A.; López, Maria V.; Low, John N.; Glidewell, Christopher
2-<i>tert</i>-Butylamino-4-chloro-6-ethylamino-1,3,5-triazine: a structure with <i>Z</i>' = 4 containing two different molecular conformations and two independent chains of hydrogen-bonded <i>R</i>~2~^2^(8) rings
Acta Crystallographica Section C, 2008, 64, o463-o466
2017034 CIF
HKL
Paper
C15 H13 N3 O3P c a 216.6312; 6.8121; 27.653
90; 90; 90
1249.2Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Hursthouse, Michael B.; Glidewell, Christopher
Four 7-aryl-substituted pyrido[2,3-<i>d</i>]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-diones: similar molecular structures but different crystal structures
Acta Crystallographica Section C, 2009, 65, o134-o139
2017055 CIF
HKL
Paper
C16 H13 Br2 N O S2P c a 2123.222; 5.884; 23.994
90; 90; 90
3278.5Tongwa, Paul; Kinnibrugh, Tiffany L.; Kicchaiahgari, Geetha R.; Khrustalev, Victor N.; Timofeeva, Tatiana V.
From small structural modifications to adjustment of structurally dependent properties: 1-methyl-3,5-bis[(<i>E</i>)-2-thienylidene]-4-piperidone and 3,5-bis[(<i>E</i>)-5-bromo-2-thienylidene]-1-methyl-4-piperidone
Acta Crystallographica Section C, 2009, 65, o155-o159
2017420 CIF
HKL
Paper
C4 H6 Cl N3 O5P c a 2117.194; 4.94; 8.901
90; 90; 90
756Bensegueni, Med Abdellatif; Cherouana, Aouatef; Bendjeddou, Lamia; Lecomte, Claude; Dahaoui, Slimane
Influence of anion substitution on hydrogen-bonding patterns of salt compounds: cytosinium hydrogen sulfate and cytosinium perchlorate
Acta Crystallographica Section C, 2009, 65, o607-o611
2017476 CIF
HKL
Paper
C16 H16 OP c a 2110.7926; 14.931; 7.8275
90; 90; 90
1261.4Bakowicz, Julia; Turowska-Tyrk, Ilona
Monitoring structural transformations in crystals. 13. On photocyclization in 2,3,4,5,6-pentamethylbenzophenone, 1,3-diphenylbutan-1-one and 2,4,6-triisopropyl-4'-methoxybenzophenone
Acta Crystallographica Section C, 2010, 66, o29-o32
2017811 CIF
HKL
Paper
C40 H30 Fe N20 O2 S2P c a 2117.006; 7.957; 31.76
90; 90; 90
4297.66Setifi, Zouaoui; Gaamoune, Bachir; Stoeckli-Evans, Helen; Rouag, Djamil-Azzeddine; Setifi, Fatima
A new coordination complex based on a polynitrile ligand: bis(4-amino-3,5-di-2-pyridyl-4<i>H</i>-1,2,4-triazole)diaquairon(II) bis(1,1,3,3-tetracyano-2-methylsulfanylpropenide)
Acta Crystallographica Section C, 2010, 66, m286-m289
2017957 CIF
HKL
Paper
C11 H11 N5P c a 2120.7274; 5.7456; 9.1455
90; 90; 90
1089.15Olczak, Andrzej; Szczesio, Małgorzata; Gołka, Jolanta; Orlewska, Czesława; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.
Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity. II. Crystal structures of 3-[amino(pyrazin-2-yl)methylidene]-2-methylcarbazic acid esters
Acta Crystallographica Section C, 2011, 67, o37-o42
2018132 CIF
HKL
Paper
C14 H10 Cl4 N2 O4P c a 219.441; 12.56; 13.69
90; 90; 90
1623Waddell, Paul G.; Hulse, Jeremy O. S.; Cole, Jacqueline M.
Two hydration products of 3,4,5,6-tetrachloro-<i>N</i>-(methyl-2-pyridyl)phthalmic acids
Acta Crystallographica Section C, 2011, 67, o255-o258
2018296 CIF
HKL
Paper
C6 H10 O6P c a 2111.1825; 6.9752; 8.793
90; 90; 90
685.9Krishnaswamy, Shobhana; Patil, Madhuri T.; Shashidhar, Mysore S.
Comparison of racemic <i>epi</i>-inosose and ({-})-<i>epi</i>-inosose
Acta Crystallographica Section C, 2011, 67, o435-o438
2018309 CIF
HKL
Paper
C10 H6 N2 S2 SeP c a 2110.641; 5.134; 19.096
90; 90; 90
1043.2Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek
2,5-Diaryl-1,3,4-selenadiazoles prepared from Woollins' reagent
Acta Crystallographica Section C, 2011, 67, o509-o514
2018554 CIF
HKL
Paper
C10 H19 Cu N5 O5P c a 219.8; 19.039; 6.8975
90; 90; 90
1287He, Jiao-Jiao; Chai, Wen-Xiang; Song, Li; Niu, Feng; Fang, Xiao-Bin
A new potential NLO compound with a supramolecular layered structure: aqua(hexamethylenetetramine-κ<i>N</i>)(iminodiacetato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')copper(II)
Acta Crystallographica Section C, 2012, 68, m206-m208
2018747 CIF
HKL
Paper
C20 H37 N9 O5 S2P c a 2115.2133; 7.4335; 24.445
90; 90; 90
2764.4Hützler, Wilhelm Maximilian; Bolte, Michael
Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds
Acta Crystallographica Section C, 2013, 69, 93-100
2018748 CIF
HKL
Paper
C23 H37 N9 O5 S2P c a 2115.2293; 7.5483; 25.1871
90; 90; 90
2895.4Hützler, Wilhelm Maximilian; Bolte, Michael
Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds
Acta Crystallographica Section C, 2013, 69, 93-100
2018759 CIF
HKL
Paper
C H K3 Mo2 O13P c a 2111.147; 5.985; 16.32
90; 90; 90
1088.8Takehara, Masaki; Hashimoto, Masato
Potassium, rubidium and ammonium salts of μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido-bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)]
Acta Crystallographica Section C, 2013, 69, 37-40
2018760 CIF
HKL
Paper
C H Mo2 O13 Rb3P c a 2111.472; 6.208; 16.633
90; 90; 90
1184.6Takehara, Masaki; Hashimoto, Masato
Potassium, rubidium and ammonium salts of μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido-bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)]
Acta Crystallographica Section C, 2013, 69, 37-40
2018837 CIF
HKL
Paper
C13 H18 N2 O SP c a 2111.5273; 13.4634; 8.3956
90; 90; 90
1302.97Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; Pinheiro, Alessandra C.; Mendonça, Thais C. N. de; de Souza, Marcus V. N.
Three 2-(methysulfanyl)nicotinamides
Acta Crystallographica Section C, 2013, 69, 293-298
2018878 CIFB7 Br Co3 O13P c a 218.5614; 8.5657; 12.1196
90; 90; 90
888.783Schmid, H.; Kubel, F.; Mao, S.Y.
Structure of the fully ferroelectric/fully ferroelastic orthorhombic room-temperature phase of cobalt bromine boracite, Co3B7O13Br and nickel chlorine boracite, Ni3B7O13Cl
Acta Crystallographica C (39,1983-), 1992, 48, 1167-1170
2018880 CIFB7 Cl Ni3 O13P c a 218.5105; 8.4984; 12.0324
90; 90; 90
870.251Kubel, F.; Mao, S.Y.; Schmid, H.
Structure of the fully ferroelectric/fully ferroelastic orthorhombic room-temperature phase of cobalt bromine boracite, Co3 B7 O13 Br and nickel chlorine boracite, Ni3 B7 O13 Cl
Acta Crystallographica C (39,1983-), 1992, 48, 1167-1170
2018909 CIF
HKL
Paper
C5 H13 N O3.77P c a 219.5819; 6.78424; 11.7152
90; 90; 90
761.56Minkov, Vasily S.; Kapustin, Evgeny A.; Boldyreva, Elena V.
Betaine 0.77-perhydrate 0.23-hydrate and common structural motifs in crystals of amino acid perhydrates
Acta Crystallographica Section C, 2013, 69, 416-420
2018910 CIF
HKL
Paper
C5 H13 N O3.76P c a 219.4916; 6.7062; 11.5975
90; 90; 90
738.21Minkov, Vasily S.; Kapustin, Evgeny A.; Boldyreva, Elena V.
Betaine 0.77-perhydrate 0.23-hydrate and common structural motifs in crystals of amino acid perhydrates
Acta Crystallographica Section C, 2013, 69, 416-420
2018948 CIF
HKL
Paper
C23 H16 N4P c a 2116.7042; 7.1632; 15.0528
90; 90; 90
1801.2Bats, Jan W.; Schell, Peter; Engels, Joachim W.
Biphenyl- and phenylnaphthalenyl-substituted 1<i>H</i>-imidazole-4,5-dicarbonitrile catalysts for the coupling reaction of nucleoside methyl phosphonamidites
Acta Crystallographica Section C, 2013, 69, 529-533
2019126 CIF
HKL
Paper
C20 H16 Br N3 O3 SP c a 2141.357; 3.9369; 11.4761
90; 90; 90
1868.52Smith, Graham; Lynch, Daniel E.
Molecular cocrystals of 5-(4-bromophenyl)-1,3,4-thiadiazol-2-amine: hydrogen bonding in the structures of the 1:1 adduct with 2-(naphthalen-2-yloxy)acetic acid and the salt with 3,5-dinitrobenzoic acid
Acta Crystallographica Section C, 2013, 69, 1034-1038
2019511 CIF
HKL
C32 H26 Co N6 O6P c a 2111.46; 16.543; 14.674
90; 90; 90
2781.9Chen, Xiao-Hua; Huang, Hua; Yang, Ming-Xing; Chen, Li-Juan; Lin, Shen
Cd^II^ and Co^II^ coordination polymers constructed from benzene-1,4-dicarboxylic acid and 2-(pyridin-3-yl)-1<i>H</i>-benzimidazole ligands
Acta Crystallographica Section C, 2014, 70, 488-492
2019521 CIF
HKL
Paper
C8 H20 Cl4 Fe NP c a 2114.0182; 8.1493; 12.8767
90; 90; 90
1471.02Lutz, Martin; Huang, Yuxing; Moret, Marc-Etienne; Klein Gebbink, Robertus J. M.
Phase transitions and twinned low-temperature structures of tetraethylammonium tetrachloridoferrate(III)
Acta Crystallographica Section C, 2014, 70, 470-476
2019522 CIF
HKL
Paper
C8 H20 Cl4 Fe NP c a 2113.9816; 8.1243; 12.8097
90; 90; 90
1455.06Lutz, Martin; Huang, Yuxing; Moret, Marc-Etienne; Klein Gebbink, Robertus J. M.
Phase transitions and twinned low-temperature structures of tetraethylammonium tetrachloridoferrate(III)
Acta Crystallographica Section C, 2014, 70, 470-476
2019607 CIF
HKL
Paper
C6 H13 As N2 O4P c a 2111.4287; 12.068; 7.5427
90; 90; 90
1040.3Smith, Graham; Wermuth, Urs D.
The three-dimensional hydrogen-bonded structures in the ammonium and sodium salt hydrates of 4-aminophenylarsonic acid
Acta Crystallographica Section C, 2014, 70
2019608 CIF
HKL
Paper
C6 H13 As N Na O6P c a 2110.4069; 13.641; 7.7494
90; 90; 90
1100.1Smith, Graham; Wermuth, Urs D.
The three-dimensional hydrogen-bonded structures in the ammonium and sodium salt hydrates of 4-aminophenylarsonic acid
Acta Crystallographica Section C, 2014, 70
2019687 CIF
HKL
Paper
C19 H15 N O2P c a 2114.2636; 16.6789; 6.0084
90; 90; 90
1429.41Nayak, Prakash S.; Narayana, Badiadka; Yathirajan, Hemmige S.; Hosten, Eric C.; Betz, Richard; Glidewell, Christopher
(2<i>E</i>)-3-(6-Methoxynaphthalen-2-yl)-1-(pyridin-3-yl)prop-2-en-1-one and its cyclocondensation product with guanidine, (4<i>RS</i>)-2-amino-4-(6-methoxynaphthalen-2-yl)-6-(pyridin-3-yl)-3,4-dihydropyrimidine monohydrate: two types of hydrogen-bonded sheet
Acta Crystallographica Section C, 2014, 70, 1011-1016
2019707 CIF
HKL
Paper
C37 H35 Cd N3 O5 P2P c a 2123.695; 12.8861; 11.1594
90; 90; 90
3407.4Rood, Jeffrey A.; Boyer, Steven; Oliver, Allen G.
One- and two-dimensional Cd^II^ coordination polymers incorporating organophosphinate ligands
Acta Crystallographica Section C, 2014, 70, 1069-1074
2019729 CIF
HKL
Paper
C8 H20 Al Cl4 NP c a 2114.0348; 8.1362; 12.8892
90; 90; 90
1471.8Tillmann, Jan; Lerner, Hans-Wolfram; Bolte, Michael
Two ammonium tetrachloridoaluminate salts: how a twinned orthorhombic structure emulates a trigonal crystal system
Acta Crystallographica Section C Structural Chemistry, 2014, 70
2019793 CIF
HKL
C11 H16 Cl N O2P c a 219.4272; 7.0774; 18.2519
90; 90; 90
1217.77Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H.
The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA)
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71
2019794 CIF
HKL
C11 H16 Cl N O2P c a 219.1478; 6.9826; 17.6799
90; 90; 90
1129.31Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H.
The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA)
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71
2019795 CIF
HKL
C11 H16 Cl N O2P c a 218.8661; 6.9379; 17.12
90; 90; 90
1053.1Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H.
The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA)
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71
2019796 CIF
HKL
C11 H16 Cl N O2P c a 218.4895; 6.8759; 16.6225
90; 90; 90
970.3Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H.
The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA)
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71
2019797 CIF
HKL
C11 H16 Cl N O2P c a 218.4043; 6.8578; 16.5271
90; 90; 90
952.54Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H.
The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA)
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71
2019798 CIF
HKL
C11 H16 Cl N O2P c a 218.3242; 6.8403; 16.447
90; 90; 90
936.49Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H.
The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA)
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71
2019799 CIF
HKL
C11 H16 Cl N O2P c a 218.3325; 6.814; 16.4416
90; 90; 90
933.5Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H.
The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA)
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71
2019806 CIF
HKL
Paper
C8 H6 Cl2 Cs O3.5P c a 218.9877; 7.3441; 32.825
90; 90; 90
2166.67Smith, Graham
Low-dimensional coordination polymeric structures in alkali metal complex salts of the herbicide (2,4-dichlorophenoxy)acetic acid (2,4-D)
Acta Crystallographica Section C, 2015, 71
2019964 CIF
HKL
Paper
C40 H36 O5P c a 2113.653; 12.0003; 19.1982
90; 90; 90
3145.43Minyaev, Mikhail E.; Roitershtein, Dmitrii M.; Nifant'ev, Ilya E.; Ananyev, Ivan V.; Minyaeva, Tatyana V.; Mikhaylyev, Timofey A.
A structural study of (1<i>RS</i>,2<i>SR</i>,3<i>RS</i>,4<i>SR</i>,5<i>RS</i>)-2,4-dibenzoyl-1,3,5-triphenylcyclohexan-1-ol chloroform hemisolvate and (1<i>RS</i>,2<i>SR</i>,3<i>RS</i>,4<i>SR</i>,5<i>RS</i>)-2,4-dibenzoyl-1-phenyl-3,5-bis(2-methoxyphenyl)cyclohexan-1-ol
Acta Crystallographica Section C, 2015, 71
2019972 CIF
HKL
Paper
C15 H17.355 Cl Cu N3 O0.18P c a 2129.2238; 8.2252; 12.8789
90; 90; 90
3095.7Bussey, Katherine A.; Cavalier, Annie R.; Connell, Jennifer R.; Mraz, Margaret E.; Oshin, Kayode D.; Pintauer, Tomislav; Oliver, Allen G.
Structural studies of (prop-2-en-1-yl)bis[(pyridin-2-yl)methylidene]amine hetero-scorpionate copper complexes
Acta Crystallographica Section C, 2015, 71

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