Crystallography Open Database

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1545011 CIF
HKL
Paper		C12 H9 Br N2 O2 SP 1 21/c 19.12236; 18.7734; 7.70271
90; 108.576; 90		1250.42Sheikh, Md. Chanmiya; Yoshimura, Toshiaki; Fujii, Takayoshi; Miyatake, Ryuta
<i>N</i>-Bromo-<i>S</i>-(4-nitrophenyl)-<i>S</i>-phenylsulfimide
IUCrData, 2017, 2, x162033
1545012 CIF
HKL
Paper		C18 H25 N O4P 1 21/c 110.3476; 10.7877; 16.922
90; 106.214; 90		1813.8Janzen, Daron E.; Majerle, Rita S.; Novosad, Katie L.
<i>N</i>,<i>N</i>-Dibutylanilinium hydrogen squarate
IUCrData, 2017, 2, x162065
1545013 CIF
HKL		C14 H12 I N O3 SP -111.0543; 12.1612; 12.3464
119.14; 94.668; 93.182		1436.2Naveen, S.; Suresha, E.; Sudha, A. G.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M.
4-Iodo-<i>N</i>-(<i>o</i>-tolylsulfonyl)benzamide
IUCrData, 2017, 2, x162030
1545014 CIF
HKL
Paper		C19 H20 N4 O SP 1 21/c 110.4024; 17.797; 10.2829
90; 112.908; 90		1753.5Xu, Jianchao; Wang, Hewen
3-(4-Amino-3-ethyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl)-1,3-diphenylpropan-1-one
IUCrData, 2017, 2, x162001
1545015 CIF
HKL
Paper		C10 H10 Co F12 O8P 1 21/c 111.139; 6.979; 12.546
90; 102.221; 90		953.2Tominaga, Takumi; Mochida, Tomoyuki
<i>trans</i>-Diaquabis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')cobalt(II) dihydrate
IUCrData, 2017, 2, x170002
1545016 CIF
HKL
Paper		C14 H18 Cl N3 O SP -15.9923; 11.0704; 12.1128
107.981; 91.3414; 97.2061		756.6Arafath, Md. Azharul; Adam, Farook; Razali, Mohd. R.
(<i>E</i>)-2-(5-Chloro-2-hydroxybenzylidene)-<i>N</i>-cyclohexylhydrazine-1-carbothioamide
IUCrData, 2017, 2, x161997
1545017 CIF
HKL
Paper		C15 H16 F N O2 S2P -17.1284; 12.2818; 18.3709
75.625; 88.538; 86.553		1555.1El-Khatatneh, Nasseem; Chandra; Rajesh, B. M.; Kumar, Shamantha; Doreswamy, B. H.; Mahendra, M.
(6-Fluoro-2-oxo-2<i>H</i>-chromen-4-yl)methyl diethylcarbamodithioate
IUCrData, 2017, 2, x162069
1545018 CIF
HKL
Paper		C17 H16 N2 SP 21 21 218.4001; 9.6239; 18.0037
90; 90; 90		1455.5El Ghayati, Lhoussaine; Hamou Ahabchane, Noureddine; Lamine Doumbia, Mohamadou; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T.
1-Ethyl-4-phenyl-1,5-benzodiazepine-2-thione
IUCrData, 2017, 2, x161998
1545019 CIF
HKL
Paper		C14 H14 N2 OP c a 2123.44; 4.6307; 10.6408
90; 90; 90		1155Arafath, Md. Azharul; Adam, Farook; Razali, Mohd. R.
(<i>E</i>)-2-Methyl-6-{[(5-methylpyridin-2-yl)imino]methyl}phenol
IUCrData, 2017, 2, x162009
1545021 CIF
HKL		C21 H21 O3 P SeP 1 21/n 18.351; 27.156; 8.545
90; 99.414; 90		1911.7Raymundo, Melina; Padgett, Clifford W.; Lynch, Will E.
Tris(2-methoxyphenyl)phosphine selenide
IUCrData, 2017, 2, x170009
1545033 CIF
HKL
Paper		C18 H18 N2 O5P 1 21/c 110.1622; 19.1448; 8.4373
90; 102.425; 90		1603.06Ranjani, T. Siva; Poomathi, N.; Vimala, G.; Perumal, Paramasivam T.; Murugesan, K. Sakthi
1-Cyclohexyl-5-(2-hydroxybenzoyl)-3-nitropyridin-2(1<i>H</i>)-one
IUCrData, 2017, 2, x170004
1545034 CIF
HKL
Paper		C9 H7 N O2P 1 21/n 19.9869; 5.3008; 13.9874
90; 93.106; 90		739.39Essaghouani, Abdelhanine; Boulhaoua, Mohammed; El Ouasif, Latifa; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T.
3-Phenylisoxazolin-5-one: a redetermination
IUCrData, 2017, 2, x170032
1545035 CIF
HKL
Paper		C29 H24 N2 O SP -18.7383; 14.1443; 19.2405
90.732; 92.181; 91.394		2375.4Akrad, Rachida; Mague, Joel T.; Guerrab, Walid; Taoufik, Jamal; Ansar, Mhamed; Ramli, Youssef
1-Benzyl-2-benzylsulfanyl-4,4-diphenyl-4,5-dihydro-1<i>H</i>-imidazol-5-one
IUCrData, 2017, 2, x170033
1545036 CIF
HKL
Paper		C26 H23 N5 O5 SP 1 21/n 113.2381; 9.9265; 19.0348
90; 100.693; 90		2457.89Seethalakshmi, P.; Palanivel, C.
1-Allyl-3'-phenyl-6'<i>H</i>-spiro[indoline-3,4'-isoxazolo[4',5':5,6]pyrido[2,3-<i>d</i>]pyrimidine]-2,5',7'(8'<i>H</i>,9'<i>H</i>)-trione dimethyl sulfoxide monosolvate
IUCrData, 2017, 2, x162044
1545037 CIF
HKL
Paper		C14 H21 N5 SP 1 21/c 120.7954; 6.2107; 11.7871
90; 90.653; 90		1522.25Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A.; Abdel-Rahman, Hamdy M.; Hawaiz, Farouq E.
4-Cyclohexyl-3-[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione
IUCrData, 2017, 2, x170020
1545038 CIF
HKL		C33 H35 Mo O3 PP -110.9903; 11.2364; 14.1608
89.737; 78.229; 60.997		1488.2Whited, Matthew T.; Ruffer, Eli J.; Zhang, Jia; Rabaey, Dominique J.; Janzen, Daron E.
<i>trans</i>-Acetyldicarbonyl(η^5^-cyclopentadienyl)[tris(3,5-dimethylphenyl)phosphane-κ<i>P</i>]molybdenum(II)
IUCrData, 2017, 2, x170042
1545039 CIF
HKL		C13 H9 Cl I N O3 SC 1 2/c 118.1163; 13.3947; 12.3002
90; 104.223; 90		2893.3Naveen, S.; Sudha, A. G.; Suresha, E.; Lokanath, N. K.; Suchetan, P. A.; Warad, Ismail
<i>N</i>-(4-Chlorophenylsulfonyl)-4-iodobenzamide
IUCrData, 2017, 2, x170025
1545040 CIF
HKL
Paper		C17 H12 Cl2 O2 SC 1 2/c 119.3473; 9.9623; 18.5845
90; 116.194; 90		3214.2Ravi, A. J.; Vinayaka, A. C.; Roopashree, K. R.; Sadashiva, M. P.; Devarajegowda., H. C.
(<i>Z</i>)-1,4-Bis(2-chlorophenyl)-2-(methylsulfanyl)but-2-ene-1,4-dione
IUCrData, 2017, 2, x162047
1545041 CIF
HKL
Paper		C16 H17 Cl O4P 1 21/c 110.4412; 7.6959; 20.2651
90; 102.311; 90		1590.95Sharmila, N.; Sundar, T. V.; Sakthivel, P.; Venkatesan, P.
Ethyl 6-(4-chlorophenyl)-2,2-dimethyl-4-oxo-3,4-dihydro-2<i>H</i>-pyran-5-carboxylate
IUCrData, 2017, 2, x170034
1545042 CIF
HKL
Paper		C16 H11 F N2 OP 1 21/c 113.211; 13.685; 6.858
90; 92.971; 90		1238.2Bougueria, Hassiba; Chetioui, Souheyla; Mili, Assia; eddine Bouaoud, Salah; Merazig, Hocine
(<i>E</i>)-1-(4-Fluorophenyl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium
IUCrData, 2017, 2, x170039
1545043 CIF
HKL
Paper		C11 H13 Cl2 N OC 1 c 114.7725; 9.3588; 9.8079
90; 116.308; 90		1215.53Seethalakshmi, P.; Palanivel, C.
4-[Bis(2-chloroethyl)amino]benzaldehyde
IUCrData, 2017, 2, x162043
1545044 CIF
HKL
Paper		C11 H8 F N O2P n a 2131.531; 4.2752; 14.108
90; 90; 90		1901.8Qachchachi, Fatim-Zahrae; Mague, Joel T.; Kandri Rodi, Youssef; Haoudi, Amal; Ouzidan, Younes; Essassi, El Mokhtar
5-Fluoro-1-(prop-2-en-1-yl)-2,3-dihydro-1<i>H</i>-indole-2,3-dione
IUCrData, 2017, 2, x170028
1545056 CIF
HKL
Paper		C30 H16 Hg2 N6 S4P 1 21/c 16.9175; 17.6267; 12.0029
90; 91.017; 90		1463.32Tan, Shuzhi; Liu, Leili; Du, Yongli
<i>catena</i>-Poly[[μ~2~-4,4'-bis(pyridin-3-ylethynyl)-1,1'-biphenyl-κ^2^<i>N</i>:<i>N</i>']bis(μ~2~-thiocyanato-κ^2^<i>N</i>:<i>S</i>)bis(thiocyanato-κ<i>S</i>)dimercury(II)]
IUCrData, 2017, 2, x170059
1545057 CIF
HKL		C15 H15 F O3P 1 21/c 17.0373; 20.7068; 8.4725
90; 92.088; 90		1233.79Ayswariya, I.; Rajalakshmi, P.; Krishnakumar, R.V.; Srinivasan, N.
9-Fluoro-2,4,4a,6-tetrahydrospiro[benzo[<i>c</i>]chromene-3,2'-[1,3]dioxolane]
IUCrData, 2017, 2, x170045
1545117 CIF
HKL		C20 H14 Br2 N2 O2P b c a7.4379; 18.736; 25.4469
90; 90; 90		3546.2Dekar, Souad; Bendia, Sabrina; Ouari, Kamel
2,2'-[(1<i>E</i>,1'<i>E</i>)-1,2-Phenylenebis(azanylylidene)bis(methanylylidene)]bis(4-bromophenol)
IUCrData, 2017, 2, x170077
1545118 CIF
HKL
Paper		C25 H15 Br N2 SP 1 21/n 19.2966; 23.0723; 9.8089
90; 109.663; 90		1981.26Kavitha, T.; Mayakrishnan, Sivakalai; Perumal, T. Paramasivam; Suvasini, Chandramouleeswaran; Lakshmi, Srinivasakannan
2-(5-Bromothiophen-2-yl)-1-phenyl-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole
IUCrData, 2017, 2, x170089
1545305 CIF
HKL
Paper		C16 H8 Cl4 N2P -19.2595; 9.9204; 10.1731
64.259; 72.322; 64.093		749.6Weil, Matthias; Siebert, David Chan Bodin; Schnürch, Michael
(<i>Z</i>)-4,6-Dichloro-<i>N</i>-(4-chlorophenyl)quinoline-3-carbimidoyl chloride
IUCrData, 2017, 2, x170274
1545306 CIF
HKL
Paper		C7 H10 I NP 1 21/c 113.8301; 19.717; 10.2121
90; 109.642; 90		2622.7Deschner, Joshua; Choczynski, Jack M.; Wong, Calvin Y.; Hayes, Kathleen L.; Crisci, Ralph R.; Lasher, Emily M.; Dragonette, Joseph; Cardenas, Allan Jay P.
1,4-Dimethylpyridinium iodide
IUCrData, 2017, 2, x170269
1545307 CIF
HKL
Paper		C10 H15 N O5P 21 21 215.514; 12.418; 15.372
90; 90; 90		1052.6Gao, Min; Lu, Li-Ping
3-Hydroxy-2-[(4-hydroxybenzyl)azaniumyl]propanoate monohydrate
IUCrData, 2017, 2, x170271
1545308 CIF
HKL
Paper		C10 H8 N6P 1 21/c 13.8091; 10.2616; 11.9768
90; 96.165; 90		465.44Du, Ran; Meng, Li; Lu, Li-Ping
1,4-Bis(1<i>H</i>-1,2,4-triazol-1-yl)benzene
IUCrData, 2017, 2, x170272
1545376 CIF
HKL
Paper		C22 H18 N2 O3P 1 21/c 117.548; 8.719; 12.237
90; 108.38; 90		1776.8El-Khatatneh, Nasseem; Vinayaka, A. C.; Chandra; Sadashiva, M. P.; Jeyaseelan, S.; Mahendra, M.
5-[(Benzo[<i>d</i>][1,3]dioxol-5-yl)methyl]-3-[4-(pyridin-2-yl)phenyl]-4,5-dihydroisoxazole
IUCrData, 2017, 2, x170278
1545377 CIF
HKL
Paper		C21 H30 O2P 1 21 110.4395; 10.8739; 16.7853
90; 95.448; 90		1896.83Mayr, Tobias; Grassl, Tobias; Korber, Nikolaus; Christoffel, Volker; Bodensteiner, Michael
Cannabidiol revisited
IUCrData, 2017, 2, x170276
1545378 CIF
HKL		C14 H6 Cl2 N2 O4 RuP 43 21 28.8003; 8.8003; 19.772
90; 90; 90		1531.2Takase, Tsugiko; Takahashi, Kasumi; Oyama, Dai
<i>cis</i>,<i>trans</i>-Dicarbonyldichlorido(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')ruthenium(II)
IUCrData, 2017, 2, x170288
1545379 CIF
HKL		C16 H23 Cl2 N OP 1 21 16.9962; 18.654; 12.426
90; 91.273; 90		1621.3Ait Elhad, Mustapha; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Oukhrib, Abdelouahd; Berraho, Moha
(1<i>S</i>,2<i>R</i>,8<i>R</i>)-11-Amino-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-10-en-9-one
IUCrData, 2017, 2, x170255
1545380 CIF
HKL
Paper		C24 H18 N2 OP 1 21/c 112.486; 9.738; 16.089
90; 109.518; 90		1843.8Kawashima, Takuya; Okuno, Tsunehisa
<i>N</i>-[5-(Diphenylamino)penta-2,4-diyn-1-yl]benzamide
IUCrData, 2017, 2, x170277
1545381 CIF
HKL
Paper		C26 H14 Br2 OP 1 21/c 117.511; 8.9191; 25.2761
90; 92.179; 90		3944.8Chen, Yih-Chun; Watanabe, Motonori; Wen, Yuh-Sheng; Chang, Yuan Jay
2,7-Dibromo-10'<i>H</i>-spiro[fluorene-9,9'-phenanthren]-10'-one
IUCrData, 2017, 2, x170301
1545382 CIF
HKL
Paper		C38 H36 Cl2 Cu N8 O12P -18.6572; 8.8108; 14.2054
79.406; 86.24; 67.895		986.78Chkirate, Karim; Sebbar, Nada Kheira; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T.
<i>trans</i>-Bis(<i>N</i>-{2-[2-(3-methyl-1<i>H</i>-pyrazol-5-yl-κ<i>N</i>^2^)acetamido-κ<i>O</i>]phenyl}benzamide)bis(perchlorato-κ<i>O</i>)copper(II)
IUCrData, 2017, 2, x170285
1545383 CIF
HKL		C17 H27 N OP 21 21 219.7147; 10.0052; 16.3078
90; 90; 90		1585.08Ait Elhad, Mustapha; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Oukhrib, Abdelouahd; Berraho, Moha
<i>N</i>-[(3a<i>R</i>*,3b<i>S</i>*)-1,3b,7,7-Tetramethyl-3a,3b,4,5,6,7,7a,7b-octahydro-3<i>H</i>-cyclopenta[3,4]cyclobuta[1,2]benzen-3a-yl]acetamide
IUCrData, 2017, 2, x170275
1545384 CIF
HKL
Paper		C14 H15 N O4 SP 1 21/c 110.4328; 14.3157; 10.4869
90; 117.064; 90		1394.7Shakuntala, K.; Kumari, Vijaya; Lokanath, N. K.; Naveen, S.; Suchetan, P. A.
2,5-Dimethoxy-<i>N</i>-phenylbenzenesulfonamide
IUCrData, 2017, 2, x170311
1545385 CIF
HKL
Paper		C13 H12 Br2 N2 SnP -18.0315; 9.7147; 10.7577
111.205; 90.226; 109.381		730.81Ma, Xiuming
Dibromido(<i>N</i>-phenylbenzamidine-κ<i>N</i>')tin(II)
IUCrData, 2017, 2, x170316
1545386 CIF
HKL
Paper		C14 H15 N O6 SP 1 21/n 19.5114; 12.308; 12.5537
90; 98.962; 90		1451.7Kalaiyarasi, S.; Suresh, S.; Akilan, R.; Kumar, R. Mohan; Chakkaravarthi, G.
4-Methylanilinium 3-carboxy-4-hydroxybenzenesulfonate
IUCrData, 2017, 2, x170254
1545387 CIF
HKL
Paper		C19 H20 N4 O3P -18.422; 10.041; 10.8799
101.889; 94.104; 90.402		897.79Chkirate, Karim; Mague, Joel T.; Sebbar, Nada Kheira; Ouzidan, Younes; Essassi, El Mokhtar
<i>N</i>-{2-[2-(5-Methyl-1<i>H</i>-pyrazol-3-yl)acetamido]phenyl}benzamide monohydrate
IUCrData, 2017, 2, x170251
1545479 CIF
HKL
Paper		C18 H23 Cl N6 O2P 1 21/c 125.3512; 14.9091; 10.7525
90; 101.725; 90		3979.3Mohamed Abdelahi, Mohamed Mokhtar; Boulhaoua, Mohammed; Essaghouani, Abdelhanine; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.
3-Chloro-6-nitro-1-[(1-octyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-1<i>H</i>-indazole
IUCrData, 2017, 2, x170146
1545480 CIF
HKL
Paper		C20 H21.33333 F N O4.66667P 1 21 115.4975; 7.8125; 24.1875
90; 107.517; 90		2792.7Wang, Xiao-Guang; Ma, Qing-Shuang; Sun, Bin; Xu, Lei; Zhan, Feng-Tao; Zheng, Geng-Xiu
(<i>S</i>)-3-[(<i>S</i>)-5-(4-Fluorophenyl)-5-hydroxypentanoyl]-4-phenyloxazolidin-2-one 0.67-hydrate
IUCrData, 2017, 2, x170213
1545481 CIF
HKL		C14 H14 O5P 1 21/c 19.5679; 11.433; 12.7993
90; 108.257; 90		1329.6Bassou, Oulemda; Chicha, Hakima; Bouissane, Latifa; Rakib, El Mostapha; Saadi, Mohamed; El Ammari, Lahcen
Ethyl (<i>E</i>)-2-(2,7-dimethyl-5-oxo-4<i>H</i>,5<i>H</i>-pyrano[4,3-<i>b</i>]pyran-4-ylidene)acetate
IUCrData, 2017, 2, x170208
1545482 CIF
HKL
Paper		C23 H20 N4 O SP 1 21/c 111.8003; 17.9297; 9.8723
90; 110.279; 90		1959.3Hou, Qian; Li, Lu; Wang, Hewen
(<i>E</i>)-2-({[3-Benzylsulfanyl-5-(<i>p</i>-tolyl)-4<i>H</i>-1,2,4-triazol-4-yl]imino}methyl)phenol
IUCrData, 2017, 2, x170211
1545483 CIF
HKL
Paper		C18 H18 N4 OP 1 21/c 18.6575; 7.1749; 25.3062
90; 93.782; 90		1568.51Samba, Mohamed; Djerrari, Bahia; Minnih, Mohamed Said; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.
(4<i>Z</i>)-4-[1-(2-Aminoanilino)ethylidene]-3-methyl-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-5-one
IUCrData, 2017, 2, x170256
1545484 CIF
HKL
Paper		C15 H26 OP 6316.2421; 16.2421; 8.9182
90; 90; 120		2037.5Inoue, Yutaka
Patchouli alcohol: 4α,8aβ,9,9-tetramethyl-3,4,4aβ,5,6β,7,8,8a-octahydro-1,6-methanonaphthalen-1β(2<i>H</i>)-ol
IUCrData, 2017, 2, x170189
1545485 CIF
HKL		C9.25 H15.25 Cl0.75 I N2 SeP -110.525; 13.4368; 20.112
71.141; 89.472; 76.46		2610Schollmeyer, Dieter; Detert, Heiner
3-Methyl-4,5,6,7,8,9-hexahydrocycloocteno-1,2,3-selenadiazolium iodide‒trichloromethane (4/1)
IUCrData, 2017, 2, x170167
1545486 CIF
HKL
Paper		C16 H12 N2 O3P -17.7193; 8.6977; 9.5907
90.457; 95.07; 90.627		641.34Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Adam, Mohamed Shaker S.; Hawaiz, Farouq E.
3-Hydroxy-3-(2-oxo-2,3-dihydro-1<i>H</i>-indol-3-yl)-2,3-dihydro-1<i>H</i>-indol-2-one
IUCrData, 2017, 2, x170139

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