Crystallography Open Database

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2239414 CIF
HKL
Paper
C16 H11 F N4 SP 1 21/c 115.088; 13.464; 7.0557
90; 91.076; 90
1433.1Palakshamurthy, B. S.; Devarajegowda, H. C.; Mohan, N. R.; Sreenivasa, S.; Suchetan, P. A.
6-(4-Fluorophenyl)-3-phenyl-7<i>H</i>-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazine
Acta Crystallographica Section E, 2014, 70, o375
2239415 CIF
HKL
Paper
Ce Cs F5P 1 21/c 18.3125; 14.2434; 8.4507
90; 104.566; 90
968.39Grzechnik, Andrzej; Underwood, Christopher C.; Kolis, Joseph W.
Twinned caesium cerium(IV) pentafluoride
Acta Crystallographica Section E, 2014, 70, i12-i13
2239416 CIF
HKL
Paper
C28 H28 B N OP 1 21/n 111.5335; 12.7336; 15.4615
90; 97.209; 90
2252.77Tiritiris, Ioannis; Saur, Stefan; Kantlehner, Willi
3-Methyl-4,5-dihydrooxazolium tetraphenylborate
Acta Crystallographica Section E, 2014, 70, o325
2239417 CIF
HKL
Paper
C22 H20 Br2 N2 SC 1 2 124.5329; 5.9762; 7.5944
90; 98.536; 90
1101.11Mendoza, Angel; Bernès, Sylvain; Hernández-Téllez, Guadalupe; Portillo-Moreno, Oscar; Gutiérrez, René
2,5-Bis{[({-})-(<i>S</i>)-1-(4-bromophenyl)ethyl]iminomethyl}thiophene
Acta Crystallographica Section E, 2014, 70, o345
2239418 CIF
HKL
C20 H21 N3 O SP b c n10.7369; 9.177; 35.6567
90; 90; 90
3513.3Schollmeyer, Dieter; Detert, Heiner
3-(4-Hexyloxyphenyl)-1,2,4-triazolo[3,4-<i>b</i>]benzothiazole
Acta Crystallographica Section E, 2014, 70, o247
2239419 CIF
HKL
Paper
C20 H16 Cu N18 O2P 1 21/c 113.591; 12.784; 7.216
90; 104.93; 90
1211.4Bensegueni, Mohamed Abdellatif; Cherouana, Aouatef; Dahaoui, Slimane; Boudraa, Issam
Diaquabis[5-(2-pyrazin-2-yl)tetrazolato]copper(II)–pyrazine-2-carbonitrile (1/2)
Acta Crystallographica Section E, 2014, 70, m80-m81
2239420 CIF
HKL
C19 H24 N2 O2P 1 21/c 112.6271; 13.578; 10.1997
90; 107.94; 90
1663.7Rivera, Augusto; Nerio, Luz Stella; Bolte, Michael
6,6'-Dimethyl-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol
Acta Crystallographica Section E, 2014, 70, o243
2239421 CIF
HKL
Paper
C16 H14 O7P c a 2116.494; 13.082; 6.6008
90; 90; 90
1424.3Knight, Kyle S.; Smith, Cole T.; Waddell, Thomas G.; Noll, Bruce
Santal monohydrate, an isoflavone isolated from <i>Wyethia mollis</i>
Acta Crystallographica Section E, 2014, 70, o267
2239422 CIF
HKL
Paper
C12 H8 Cu N10P 1 21/c 15.5391; 13.128; 8.795
90; 97.65; 90
633.86Li, Jian-Quan; Mu, Dan; Fan, Meng-Bao
Bis[5-(pyridin-2-yl-κ<i>N</i>)tetrazolido-κ<i>N</i>^1^]copper(II)
Acta Crystallographica Section E, 2014, 70, m79
2239423 CIF
HKL
Paper
C21 H21 Br O2 SP 1 21/c 117.6432; 8.9425; 12.4776
90; 108.277; 90
1869.33Choi, Hong Dae; Seo, Pil Ja; Lee, Uk
3-(3-Bromophenylsulfinyl)-5-cyclohexyl-2-methyl-1-benzofuran
Acta Crystallographica Section E, 2014, 70, o309
2239424 CIF
HKL
Paper
C14 H17 N OP 1 21/c 110.1766; 13.159; 9.2877
90; 104.062; 90
1206.5Boulebd, Houssem; Bouraiou, Abdelmalek; Bouacida, Sofiane; Merazig, Hocine; Belfaitah, Ali
3-Anilino-5,5-dimethylcyclohex-2-enone
Acta Crystallographica Section E, 2014, 70, o233-o234
2239425 CIF
HKL
Paper
C17 H17 N O2P b c a14.5228; 12.4663; 15.2354
90; 90; 90
2758.3Öncüoğlu, Serkan; Dilek, Nefise; Çaylak Delibaş, Nagihan; Ergün, Yavuz; Hökelek, Tuncer
Ethyl 4,9-dimethyl-9<i>H</i>-carbazole-3-carboxylate
Acta Crystallographica Section E, 2014, 70, o240
2239426 CIF
HKL
C25 H20 N2 OP 1 21/c 118.4128; 21.2523; 10.208
90; 99.834; 90
3935.84Chen, Jiang; Jin, Zhe-Peng; Gao, Bing-Fei; Yu, Jian-Hua; Wu, Jie-Ying
2-{(<i>E</i>)-[4-(Diphenylamino)phenyl]iminomethyl}phenol
Acta Crystallographica Section E, 2014, 70, o314
2239427 CIF
HKL
Paper
C12 H15 N3 SP -110.6234; 10.9425; 11.0576
73.685; 79.152; 88.614
1211.04de Oliveira, Adriano Bof; Feitosa, Bárbara Regina Santos; Näther, Christian; Jess, Inke
<i>N</i>-Methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide
Acta Crystallographica Section E, 2014, 70, o301-o302
2239428 CIF
HKL
Paper
C15 H13 N3 O2P 1 21/n 120.1565; 6.1651; 20.325
90; 97.781; 90
2502.47Mague, Joel T.; Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.
3-Amino-5,5-diphenylimidazolidine-2,4-dione
Acta Crystallographica Section E, 2014, 70, o262-o263
2239429 CIF
HKL
Paper
C26 H23 N O2P 21 21 218.8056; 10.6638; 21.8315
90; 90; 90
2050Lopchuk, Justin M.; Gribble, Gordon W.; Jasinski, Jerry P.
Methyl 1-benzyl-5-methyl-2,4-diphenyl-1<i>H</i>-pyrrole-3-carboxylate
Acta Crystallographica Section E, 2014, 70, o338-o339
2239430 CIF
HKL
C32 H30 F2 N2P 1 21/n 111.5335; 9.5024; 12.1318
90; 91.66; 90
1329Wei, Juanjuan; She, Houde; Shi, Lijun; Lei, Ziqiang
<i>N</i>,<i>N</i>'-[(2<i>E</i>,3<i>E</i>)-Butane-2,3-diylidene]bis[4-fluoro-2-(1-phenylethyl)aniline]
Acta Crystallographica Section E, 2014, 70, o275
2239431 CIF
HKL
C16 H20 N4 O S2P 1 21/c 117.429; 16.748; 5.839
90; 95.48; 90
1696.6Ismailova, D. S.; Okmanov, R. Ya.; Ziyaev, A. A.; Shakhidoyatov, Kh. M.; Tashkhodjaev, B.
<i>N</i>-(5-Benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(piperidin-1-yl)acetamide
Acta Crystallographica Section E, 2014, 70, o241
2239432 CIF
HKL
Paper
C19 H23 N3 O7P -16.0745; 12.0617; 13.4817
92.561; 98.753; 93.326
973.2Kavitha, Channappa N.; Kaur, Manpreet; Anderson, Brian J.; Jasinski, Jerry P.; Yathirajan, H. S.
1-Piperonylpiperazinium 4-nitrobenzoate monohydrate
Acta Crystallographica Section E, 2014, 70, o270-o271
2239433 CIF
HKL
Paper
C30 H24 N4P -18.8858; 10.054; 13.2256
93.343; 106.76; 98.53
1112.4Ohno, Keiji; Maruyama, Haruki; Fujihara, Takashi; Nagasawa, Akira
<i>N</i>^1^,<i>N</i>^4^-Diphenyl-3,6-bis(phenylimino)cyclohexa-1,4-diene-1,4-diamine
Acta Crystallographica Section E, 2014, 70, o303-o304
2239434 CIF
HKL
Paper
C25 H23 N O4P 1 21/n 114.0674; 7.8105; 19.768
90; 110.456; 90
2035.01Raghuvarman, B.; Srinivasan, J.; Bakthadoss, M.; Aravindhan, S.
Methyl 1-phenyl-3-<i>p</i>-tolyl-1,9b-dihydro-3<i>H</i>-chromeno[4,3-<i>c</i>]isoxazole-3a(4<i>H</i>)-carboxylate
Acta Crystallographica Section E, 2014, 70, o281-o282
2239435 CIF
HKL
C10 H12 Cl2 Mn O6P -15.0784; 8.1255; 8.9003
102.718; 105.175; 101.092
333.35Tanaka, Seiya; Himegi, Akiko; Ohishi, Tomomi; Fuyuhiro, Akira; Kawata, Satoshi
<i>catena</i>-Poly[[bis(ethanol-κ<i>O</i>)manganese(II)]-μ-2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-bis(olato)-κ^4^<i>O</i>^1^,<i>O</i>^6^:<i>O</i>^3^,<i>O</i>^4^]
Acta Crystallographica Section E, 2014, 70, m90-m91
2239436 CIF
HKL
Paper
C15 H12 N2 O4 SP 1 21/n 14.9803; 26.5291; 10.274
90; 90.804; 90
1357.3Mague, Joel T.; Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; El-Sherbeny, Magda A.
4-[(1,3-Dioxoisoindolin-2-yl)methyl]benzenesulfonamide
Acta Crystallographica Section E, 2014, 70, o291-o292
2239437 CIF
HKL
Paper
C13 H9 N OP 21 21 214.8009; 12.2309; 16.0247
90; 90; 90
940.96Bugenhagen, Bernhard; Al Jasem, Yosef; Al-Azani, Mariam; Thiemann, Thies
Fluoren-9-one oxime
Acta Crystallographica Section E, 2014, 70, o265
2239438 CIF
HKL
Paper
C40 H42 Cl2 Mn N6 O8C 1 2/c 123.162; 10.4755; 19.391
90; 118.896; 90
4119.1Butcher, Ray J.; Gultneh, Yilma; Yisgedu, T. B.
Bis[(2-methylbenzyl)bis(pyridin-2-ylmethyl-κ<i>N</i>)amine-κ<i>N</i>]manganese(II) bis(perchlorate)
Acta Crystallographica Section E, 2014, 70, m100-m101
2239439 CIF
HKL
C16 H13 N O6C 1 2/c 120.3958; 8.3334; 18.9386
90; 118.342; 90
2833.1Vieira, Vanessa C. M.; Golen, James A.; Rheingold, Arnold L.; Manke, David R.
Dimethyl 2-nitrobiphenyl-4,4'-dicarboxylate
Acta Crystallographica Section E, 2014, 70, o371
2239440 CIF
HKL
Paper
C11 H8 N2 O2P -17.1967; 9.9909; 13.5534
77.508; 81.551; 77.717
924.44Qachchachi, Fatima-Zahrae; Kandri Rodi, Youssef; Essassi, El Mokhtar; Bodensteiner, Michael; El Ammari, Lahcen
3-(2,3-Dioxoindolin-1-yl)propanenitrile
Acta Crystallographica Section E, 2014, 70, o361-o362
2239441 CIF
HKL
Paper
C21 H21 Br O3 SP 1 21/n 17.3548; 20.4554; 12.6801
90; 92.463; 90
1905.9Choi, Hong Dae; Seo, Pil Ja; Lee, Uk
3-(2-Bromophenylsulfonyl)-5-cyclohexyl-2-methyl-1-benzofuran
Acta Crystallographica Section E, 2014, 70, o324
2239442 CIF
HKL
Paper
C15 H15 N OP 1 21/n 114.4728; 5.4554; 15.0906
90; 95.453; 90
1186.08Öncüoğlu, Serkan; Dilek, Nefise; Ergün, Yavuz; Hökelek, Tuncer
(4,9-Dimethyl-9<i>H</i>-carbazol-3-yl)methanol
Acta Crystallographica Section E, 2014, 70, o346-o347
2239443 CIF
HKL
Paper
C21 H22 Cl N3 O6 SP -19.1442; 9.4376; 14.0931
108.262; 96.017; 103.313
1103.13Kouakou, Assoman; Rakib, El Mostapha; Abbassi, Najat; Saadi, Mohamed; El Ammari, Lahcen
Ethyl 3-[7-(<i>N</i>-acetyl-4-methoxybenzenesulfonamido)-3-chloro-2<i>H</i>-indazol-2-yl]propionate
Acta Crystallographica Section E, 2014, 70, o307-o308
2239444 CIF
HKL
Paper
C9 H22 Cl Co Cr N11 S5P -18.829; 10.745; 13.275
106.98; 93.131; 90.646
1202.2Rusanova, Julia A.; Semenaka, Valentyna V.; Zubatyuk, Roman I.
<i>trans</i>-Chloridobis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')(thiocyanato-κ<i>N</i>)cobalt(III) diamminetetrakis(thiocyanato-κ<i>N</i>)cromate(III)
Acta Crystallographica Section E, 2014, 70, m110-m111
2239445 CIF
HKL
Paper
C21 H23 Br O3P 21 21 217.1617; 13.1615; 19.2306
90; 90; 90
1812.65Penthala, Narsimha Reddy; Bommagani, Shobanbabu; Janganati, Venumadhav; Parkin, Sean; Crooks, Peter A.
(<i>E</i>)-13-(2-Bromophenyl)micheliolide
Acta Crystallographica Section E, 2014, 70, o251-o252
2239446 CIF
HKL
C47 H32 Co2 N12 O S4P 1 21 18.903; 21.732; 12.335
90; 108.48; 90
2263.5Tsunezumi, Yuya; Matsumoto, Kouzou; Hayami, Shinya; Fuyuhiro, Akira; Kawata, Satoshi
Bis[tetrakis(pyridin-2-yl)methane-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']cobalt(II) tetrakis(thiocyanato-κ<i>N</i>)cobaltate(II) methanol monosolvate
Acta Crystallographica Section E, 2014, 70, m96-m97
2239447 CIF
HKL
C20 H17 F3 N2 O4P 1 21/c 110.8643; 10.6705; 15.8062
90; 105.696; 90
1764Akinboye, Emmanuel S.; Butcher, Ray J.; Yildirim, Sema Ozturk; Isaacs, John T.
4-Hydroxy-5-methoxy-<i>N</i>,1-dimethyl-2-oxo-<i>N</i>-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinoline-3-carboxamide
Acta Crystallographica Section E, 2014, 70, o297-o298
2239448 CIF
HKL
Paper
C18 H12 Br NP 1 21/c 18.4137; 20.1179; 8.6346
90; 108.532; 90
1385.76Kautny, Paul; Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes
9-(4-Bromophenyl)-9<i>H</i>-carbazole
Acta Crystallographica Section E, 2014, 70, o330-o331
2239449 CIF
HKL
Paper
C25 H15 F N2 O6 SP 1 21/c 18.124; 14.191; 18.607
90; 93.82; 90
2140.4Gopinath, S.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.
2-(4-Fluoro-2-nitrophenyl)-4-hydroxy-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carbaldehyde
Acta Crystallographica Section E, 2014, 70, o273-o274
2239450 CIF
HKL
Paper
C34 H20 N6 O12P -18.5937; 9.8302; 18.87
77.81; 83.622; 68.025
1444.04Zhong, Kai-Long; Ni, Chao
Bis(6-nitro-1,10-phenanthrolin-1-ium) 2,5-dicarboxyterephthalate
Acta Crystallographica Section E, 2014, 70, o256-o257
2239451 CIF
HKL
Paper
C21 H20 N2 O3P 1 21/n 113.1962; 10.0002; 13.56
90; 100.469; 90
1759.65Bulatov, Evgeny; Boyarskaya, Dina; Chulkova, Tatiana; Haukka, Matti
2,3-Diphenylmaleimide 1-methylpyrrolidin-2-one monosolvate
Acta Crystallographica Section E, 2014, 70, o260
2239452 CIF
HKL
C24 H22 N4 O3P -17.0629; 12.5553; 13.3705
68.321; 83.678; 78.567
1079.04Sharma, Devinder K.; Shripanavar, Chetan S.; Anthal, Sumati; Gupta, Vivek K.; Kant, Rajni
5-((Methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}methyl)-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine
Acta Crystallographica Section E, 2014, 70, o357-o358
2239453 CIF
HKL
C15 H19 N3 O2P -16.9537; 8.441; 12.563
96.26; 98.381; 92.647
723.7Zhou, Mi; Shao, Ying; Xia, Yong-an; Liu, Xiao-Long; Sun, Xiao-Qiang
2-[2-(4-Methylpiperazin-1-yl)ethyl]isoindoline-1,3-dione
Acta Crystallographica Section E, 2014, 70, o287
2239454 CIF
HKL
Paper
C6 H14 N2 O3P 1 21/c 18.9322; 9.901; 10.3951
90; 103.866; 90
892.53Bagabas, Abdulaziz A.; Aboud, Mohamed F. A.; Shemsi, Ahsan M.; Addurihem, Emad S.; Al-Othman, Zeid A.; Chidan Kumar, C. S.; Fun, Hoong-Kun
Cyclohexylammonium nitrate
Acta Crystallographica Section E, 2014, 70, o253-o254
2239455 CIF
HKL
Paper
C13 H13 N3 O3 SP b c a12.233; 13.4144; 16.332
90; 90; 90
2680.1Thirunavukkarasu, A.; Silambarasan, A.; Kumar, R. Mohan; Umarani, P. R.; Chakkaravarthi, G.
Benzotriazolium 4-methylbenzenesulfonate
Acta Crystallographica Section E, 2014, 70, o350
2239456 CIF
HKL
C12 H10 N2 O3P n a 219.5934; 11.1939; 10.3332
90; 90; 90
1109.66Datta, Riya; Ramya, V.; Sithambaresan, M.; Kurup, M. R. Prathapachandra
<i>N</i>'-[(<i>E</i>)-Furan-2-ylmethylidene]-4-hydroxybenzohydrazide
Acta Crystallographica Section E, 2014, 70, o242
2239457 CIF
HKL
Paper
C19 H17 N5 SP 1 21/c 116.7346; 5.5511; 20.4817
90; 121.325; 90
1625.31Hariono, Maywan; Wahab, Habibah A.; Tan, Mei Lan; Rosli, Mohd Mustaqim; Razak, Ibrahim Abdul
9-Benzyl-6-benzylsulfanyl-9<i>H</i>-purin-2-amine
Acta Crystallographica Section E, 2014, 70, o288
2239458 CIF
HKL
C16 H12 Cl N OP b c n31.247; 9.1889; 9.3719
90; 90; 90
2690.9Ma, Ben; Zhou, Hongyan; Yang, Jingya
2-(4-Chlorophenyl)-4-oxo-4-phenylbutanenitrile
Acta Crystallographica Section E, 2014, 70, o259
2239459 CIF
HKL
Paper
C29 H29 Br N2 O3P 1 21/n 112.0673; 9.4109; 22.5852
90; 103.66; 90
2492.32Karthikeyan, S.; Sethusankar, K.; Devaraj, Anthonisamy; Bakthadoss, Manickam
Methyl 4'-(3-bromophenyl)-3'-(2,5-dimethylbenzyl)-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate
Acta Crystallographica Section E, 2014, 70, o299-o300
2239460 CIF
HKL
C8 H16 N4I -4 2 m7.4065; 7.4065; 7.6235
90; 90; 90
418.2Rivera, Augusto; Ríos-Motta, Jaime; Bolte, Michael
Redetermination of 1,3,6,8-tetraazatricyclo[4.4.1.1^3,8^]dodecane
Acta Crystallographica Section E, 2014, 70, o266
2239461 CIF
HKL
Paper
C30 H33 B N2 OP 1 21/n 110.6715; 16.9824; 14.4061
90; 103.515; 90
2538.5Tiritiris, Ioannis; Saur, Stefan; Kantlehner, Willi
(Methoxymethylidene)dimethylazanium tetraphenylborate acetonitrile monosolvate
Acta Crystallographica Section E, 2014, 70, o333
2239462 CIF
HKL
Paper
C21 H20 N2 O2 SP n a 2115.061; 21.992; 5.437
90; 90; 90
1800.9Lai, Hongshan; Gallucci, Judith C.; Li, Chenglong
<i>N</i>-[2-(9<i>H</i>-Carbazol-9-yl)ethyl]-4-(methylsulfonyl)aniline
Acta Crystallographica Section E, 2014, 70, o332
2239463 CIF
HKL
Paper
C18 H16 N4 O SP n a 2134.5438; 6.0102; 15.6138
90; 90; 90
3241.7Sebbar, Nada Kheira; El Fal, Mohammed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen
4-[(1-Benzyl-1,2,3-triazol-5-yl)methyl]-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one
Acta Crystallographica Section E, 2014, 70, o363-o364

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