Crystallography Open Database
Search results
Result : There are 248 entries in the selection
You can download the COD numbers of the selection as a text file
You can download all files as a single ZIP archive
Searching journal of publication like 'IUCrData' volume of publication is 2
COD ID: 1545011 | |
CIF file | Formula: - C12 H9 Br N2 O2 S - Comments: Sheikh, Md. Chanmiya; Yoshimura, Toshiaki; Fujii, Takayoshi; Miyatake, Ryuta <i>N</i>-Bromo-<i>S</i>-(4-nitrophenyl)-<i>S</i>-phenylsulfimide IUCrData 2(1) (2017) x162033 Space group: P 1 21/c 1 Cell volume: 1250.42 Cell parameters: 9.12236; 18.7734; 7.70271; 90; 108.576; 90; |
COD ID: 1545012 | |
CIF file | Formula: - C18 H25 N O4 - Comments: Janzen, Daron E.; Majerle, Rita S.; Novosad, Katie L. <i>N</i>,<i>N</i>-Dibutylanilinium hydrogen squarate IUCrData 2(1) (2017) x162065 Space group: P 1 21/c 1 Cell volume: 1813.8 Cell parameters: 10.3476; 10.7877; 16.922; 90; 106.214; 90; |
COD ID: 1545013 | |
CIF file | Formula: - C14 H12 I N O3 S - Comments: Naveen, 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 2(1) (2017) x162030 Space group: P -1 Cell volume: 1436.2 Cell parameters: 11.0543; 12.1612; 12.3464; 119.14; 94.668; 93.182; |
COD ID: 1545014 | |
CIF file | Formula: - C19 H20 N4 O S - Comments: Xu, 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 2(1) (2017) x162001 Space group: P 1 21/c 1 Cell volume: 1753.5 Cell parameters: 10.4024; 17.797; 10.2829; 90; 112.908; 90; |
COD ID: 1545015 | |
CIF file | Formula: - C10 H10 Co F12 O8 - Comments: Tominaga, 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 2(1) (2017) x170002 Space group: P 1 21/c 1 Cell volume: 953.2 Cell parameters: 11.139; 6.979; 12.546; 90; 102.221; 90; |
COD ID: 1545016 | |
CIF file | Formula: - C14 H18 Cl N3 O S - Comments: Arafath, Md. Azharul; Adam, Farook; Razali, Mohd. R. (<i>E</i>)-2-(5-Chloro-2-hydroxybenzylidene)-<i>N</i>-cyclohexylhydrazine-1-carbothioamide IUCrData 2(1) (2017) x161997 Space group: P -1 Cell volume: 756.6 Cell parameters: 5.9923; 11.0704; 12.1128; 107.981; 91.3414; 97.2061; |
COD ID: 1545017 | |
CIF file | Formula: - C15 H16 F N O2 S2 - Comments: El-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 2(1) (2017) x162069 Space group: P -1 Cell volume: 1555.1 Cell parameters: 7.1284; 12.2818; 18.3709; 75.625; 88.538; 86.553; |
COD ID: 1545018 | |
CIF file | Formula: - C17 H16 N2 S - Comments: El 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 2(1) (2017) x161998 Space group: P 21 21 21 Cell volume: 1455.5 Cell parameters: 8.4001; 9.6239; 18.0037; 90; 90; 90; |
COD ID: 1545019 | |
CIF file | Formula: - C14 H14 N2 O - Comments: Arafath, Md. Azharul; Adam, Farook; Razali, Mohd. R. (<i>E</i>)-2-Methyl-6-{[(5-methylpyridin-2-yl)imino]methyl}phenol IUCrData 2(1) (2017) x162009 Space group: P c a 21 Cell volume: 1155 Cell parameters: 23.44; 4.6307; 10.6408; 90; 90; 90; |
COD ID: 1545021 | |
CIF file | Formula: - C21 H21 O3 P Se - Comments: Raymundo, Melina; Padgett, Clifford W.; Lynch, Will E. Tris(2-methoxyphenyl)phosphine selenide IUCrData 2(1) (2017) x170009 Space group: P 1 21/n 1 Cell volume: 1911.7 Cell parameters: 8.351; 27.156; 8.545; 90; 99.414; 90; |
COD ID: 1545033 | |
CIF file | Formula: - C18 H18 N2 O5 - Comments: Ranjani, 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 2(1) (2017) x170004 Space group: P 1 21/c 1 Cell volume: 1603.06 Cell parameters: 10.1622; 19.1448; 8.4373; 90; 102.425; 90; |
COD ID: 1545034 | |
CIF file | Formula: - C9 H7 N O2 - Comments: Essaghouani, Abdelhanine; Boulhaoua, Mohammed; El Ouasif, Latifa; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T. 3-Phenylisoxazolin-5-one: a redetermination IUCrData 2(1) (2017) x170032 Space group: P 1 21/n 1 Cell volume: 739.39 Cell parameters: 9.9869; 5.3008; 13.9874; 90; 93.106; 90; |
COD ID: 1545035 | |
CIF file | Formula: - C29 H24 N2 O S - Comments: Akrad, 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 2(1) (2017) x170033 Space group: P -1 Cell volume: 2375.4 Cell parameters: 8.7383; 14.1443; 19.2405; 90.732; 92.181; 91.394; |
COD ID: 1545036 | |
CIF file | Formula: - C26 H23 N5 O5 S - Comments: Seethalakshmi, 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 2(1) (2017) x162044 Space group: P 1 21/n 1 Cell volume: 2457.89 Cell parameters: 13.2381; 9.9265; 19.0348; 90; 100.693; 90; |
COD ID: 1545037 | |
CIF file | Formula: - C14 H21 N5 S - Comments: Mague, 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 2(1) (2017) x170020 Space group: P 1 21/c 1 Cell volume: 1522.25 Cell parameters: 20.7954; 6.2107; 11.7871; 90; 90.653; 90; |
COD ID: 1545038 | |
CIF file | Formula: - C33 H35 Mo O3 P - Comments: Whited, 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 2(1) (2017) x170042 Space group: P -1 Cell volume: 1488.2 Cell parameters: 10.9903; 11.2364; 14.1608; 89.737; 78.229; 60.997; |
COD ID: 1545039 | |
CIF file | Formula: - C13 H9 Cl I N O3 S - Comments: Naveen, S.; Sudha, A. G.; Suresha, E.; Lokanath, N. K.; Suchetan, P. A.; Warad, Ismail <i>N</i>-(4-Chlorophenylsulfonyl)-4-iodobenzamide IUCrData 2(1) (2017) x170025 Space group: C 1 2/c 1 Cell volume: 2893.3 Cell parameters: 18.1163; 13.3947; 12.3002; 90; 104.223; 90; |
COD ID: 1545040 | |
CIF file | Formula: - C17 H12 Cl2 O2 S - Comments: Ravi, 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 2(1) (2017) x162047 Space group: C 1 2/c 1 Cell volume: 3214.2 Cell parameters: 19.3473; 9.9623; 18.5845; 90; 116.194; 90; |
COD ID: 1545041 | |
CIF file | Formula: - C16 H17 Cl O4 - Comments: Sharmila, 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 2(1) (2017) x170034 Space group: P 1 21/c 1 Cell volume: 1590.95 Cell parameters: 10.4412; 7.6959; 20.2651; 90; 102.311; 90; |
COD ID: 1545042 | |
CIF file | Formula: - C16 H11 F N2 O - Comments: Bougueria, 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 2(1) (2017) x170039 Space group: P 1 21/c 1 Cell volume: 1238.2 Cell parameters: 13.211; 13.685; 6.858; 90; 92.971; 90; |
COD ID: 1545043 | |
CIF file | Formula: - C11 H13 Cl2 N O - Comments: Seethalakshmi, P.; Palanivel, C. 4-[Bis(2-chloroethyl)amino]benzaldehyde IUCrData 2(1) (2017) x162043 Space group: C 1 c 1 Cell volume: 1215.53 Cell parameters: 14.7725; 9.3588; 9.8079; 90; 116.308; 90; |
COD ID: 1545044 | |
CIF file | Formula: - C11 H8 F N O2 - Comments: Qachchachi, 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 2(1) (2017) x170028 Space group: P n a 21 Cell volume: 1901.8 Cell parameters: 31.531; 4.2752; 14.108; 90; 90; 90; |
COD ID: 1545056 | |
CIF file | Formula: - C30 H16 Hg2 N6 S4 - Comments: Tan, 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 2(1) (2017) x170059 Space group: P 1 21/c 1 Cell volume: 1463.32 Cell parameters: 6.9175; 17.6267; 12.0029; 90; 91.017; 90; |
COD ID: 1545057 | |
CIF file | Formula: - C15 H15 F O3 - Comments: Ayswariya, 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 2(1) (2017) x170045 Space group: P 1 21/c 1 Cell volume: 1233.79 Cell parameters: 7.0373; 20.7068; 8.4725; 90; 92.088; 90; |
COD ID: 1545117 | |
CIF file | Formula: - C20 H14 Br2 N2 O2 - Comments: Dekar, 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 2(1) (2017) x170077 Space group: P b c a Cell volume: 3546.2 Cell parameters: 7.4379; 18.736; 25.4469; 90; 90; 90; |
COD ID: 1545118 | |
CIF file | Formula: - C25 H15 Br N2 S - Comments: Kavitha, 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 2(1) (2017) x170089 Space group: P 1 21/n 1 Cell volume: 1981.26 Cell parameters: 9.2966; 23.0723; 9.8089; 90; 109.663; 90; |
COD ID: 1545305 | |
CIF file | Formula: - C16 H8 Cl4 N2 - Comments: Weil, Matthias; Siebert, David Chan Bodin; Schnürch, Michael (<i>Z</i>)-4,6-Dichloro-<i>N</i>-(4-chlorophenyl)quinoline-3-carbimidoyl chloride IUCrData 2(2) (2017) x170274 Space group: P -1 Cell volume: 749.6 Cell parameters: 9.2595; 9.9204; 10.1731; 64.259; 72.322; 64.093; |
COD ID: 1545306 | |
CIF file | Formula: - C7 H10 I N - Comments: Deschner, 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 2(2) (2017) x170269 Space group: P 1 21/c 1 Cell volume: 2622.7 Cell parameters: 13.8301; 19.717; 10.2121; 90; 109.642; 90; |
COD ID: 1545307 | |
CIF file | Formula: - C10 H15 N O5 - Comments: Gao, Min; Lu, Li-Ping 3-Hydroxy-2-[(4-hydroxybenzyl)azaniumyl]propanoate monohydrate IUCrData 2(2) (2017) x170271 Space group: P 21 21 21 Cell volume: 1052.6 Cell parameters: 5.514; 12.418; 15.372; 90; 90; 90; |
COD ID: 1545308 | |
CIF file | Formula: - C10 H8 N6 - Comments: Du, Ran; Meng, Li; Lu, Li-Ping 1,4-Bis(1<i>H</i>-1,2,4-triazol-1-yl)benzene IUCrData 2(2) (2017) x170272 Space group: P 1 21/c 1 Cell volume: 465.44 Cell parameters: 3.8091; 10.2616; 11.9768; 90; 96.165; 90; |
COD ID: 1545376 | |
CIF file | Formula: - C22 H18 N2 O3 - Comments: El-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 2(2) (2017) x170278 Space group: P 1 21/c 1 Cell volume: 1776.8 Cell parameters: 17.548; 8.719; 12.237; 90; 108.38; 90; |
COD ID: 1545377 | |
CIF file | Formula: - C21 H30 O2 - Comments: Mayr, Tobias; Grassl, Tobias; Korber, Nikolaus; Christoffel, Volker; Bodensteiner, Michael Cannabidiol revisited IUCrData 2(2) (2017) x170276 Space group: P 1 21 1 Cell volume: 1896.83 Cell parameters: 10.4395; 10.8739; 16.7853; 90; 95.448; 90; |
COD ID: 1545378 | |
CIF file | Formula: - C14 H6 Cl2 N2 O4 Ru - Comments: Takase, 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 2(2) (2017) x170288 Space group: P 43 21 2 Cell volume: 1531.2 Cell parameters: 8.8003; 8.8003; 19.772; 90; 90; 90; |
COD ID: 1545379 | |
CIF file | Formula: - C16 H23 Cl2 N O - Comments: Ait 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 2(2) (2017) x170255 Space group: P 1 21 1 Cell volume: 1621.3 Cell parameters: 6.9962; 18.654; 12.426; 90; 91.273; 90; |
COD ID: 1545380 | |
CIF file | Formula: - C24 H18 N2 O - Comments: Kawashima, Takuya; Okuno, Tsunehisa <i>N</i>-[5-(Diphenylamino)penta-2,4-diyn-1-yl]benzamide IUCrData 2(2) (2017) x170277 Space group: P 1 21/c 1 Cell volume: 1843.8 Cell parameters: 12.486; 9.738; 16.089; 90; 109.518; 90; |
COD ID: 1545381 | |
CIF file | Formula: - C26 H14 Br2 O - Comments: Chen, 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 2(2) (2017) x170301 Space group: P 1 21/c 1 Cell volume: 3944.8 Cell parameters: 17.511; 8.9191; 25.2761; 90; 92.179; 90; |
COD ID: 1545382 | |
CIF file | Formula: - C38 H36 Cl2 Cu N8 O12 - Comments: Chkirate, 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 2(2) (2017) x170285 Space group: P -1 Cell volume: 986.78 Cell parameters: 8.6572; 8.8108; 14.2054; 79.406; 86.24; 67.895; |
COD ID: 1545383 | |
CIF file | Formula: - C17 H27 N O - Comments: Ait 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 2(2) (2017) x170275 Space group: P 21 21 21 Cell volume: 1585.08 Cell parameters: 9.7147; 10.0052; 16.3078; 90; 90; 90; |
COD ID: 1545384 | |
CIF file | Formula: - C14 H15 N O4 S - Comments: Shakuntala, K.; Kumari, Vijaya; Lokanath, N. K.; Naveen, S.; Suchetan, P. A. 2,5-Dimethoxy-<i>N</i>-phenylbenzenesulfonamide IUCrData 2(2) (2017) x170311 Space group: P 1 21/c 1 Cell volume: 1394.7 Cell parameters: 10.4328; 14.3157; 10.4869; 90; 117.064; 90; |
COD ID: 1545385 | |
CIF file | Formula: - C13 H12 Br2 N2 Sn - Comments: Ma, Xiuming Dibromido(<i>N</i>-phenylbenzamidine-κ<i>N</i>')tin(II) IUCrData 2(2) (2017) x170316 Space group: P -1 Cell volume: 730.81 Cell parameters: 8.0315; 9.7147; 10.7577; 111.205; 90.226; 109.381; |
COD ID: 1545386 | |
CIF file | Formula: - C14 H15 N O6 S - Comments: Kalaiyarasi, S.; Suresh, S.; Akilan, R.; Kumar, R. Mohan; Chakkaravarthi, G. 4-Methylanilinium 3-carboxy-4-hydroxybenzenesulfonate IUCrData 2(2) (2017) x170254 Space group: P 1 21/n 1 Cell volume: 1451.7 Cell parameters: 9.5114; 12.308; 12.5537; 90; 98.962; 90; |
COD ID: 1545387 | |
CIF file | Formula: - C19 H20 N4 O3 - Comments: Chkirate, 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 2(2) (2017) x170251 Space group: P -1 Cell volume: 897.79 Cell parameters: 8.422; 10.041; 10.8799; 101.889; 94.104; 90.402; |
COD ID: 1545479 | |
CIF file | Formula: - C18 H23 Cl N6 O2 - Comments: Mohamed 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 2(2) (2017) x170146 Space group: P 1 21/c 1 Cell volume: 3979.3 Cell parameters: 25.3512; 14.9091; 10.7525; 90; 101.725; 90; |
COD ID: 1545480 | |
CIF file | Formula: - C20 H21.33333 F N O4.66667 - Comments: Wang, 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 2(2) (2017) x170213 Space group: P 1 21 1 Cell volume: 2792.7 Cell parameters: 15.4975; 7.8125; 24.1875; 90; 107.517; 90; |
COD ID: 1545481 | |
CIF file | Formula: - C14 H14 O5 - Comments: Bassou, 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 2(2) (2017) x170208 Space group: P 1 21/c 1 Cell volume: 1329.6 Cell parameters: 9.5679; 11.433; 12.7993; 90; 108.257; 90; |
COD ID: 1545482 | |
CIF file | Formula: - C23 H20 N4 O S - Comments: Hou, 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 2(2) (2017) x170211 Space group: P 1 21/c 1 Cell volume: 1959.3 Cell parameters: 11.8003; 17.9297; 9.8723; 90; 110.279; 90; |
COD ID: 1545483 | |
CIF file | Formula: - C18 H18 N4 O - Comments: Samba, 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 2(2) (2017) x170256 Space group: P 1 21/c 1 Cell volume: 1568.51 Cell parameters: 8.6575; 7.1749; 25.3062; 90; 93.782; 90; |
COD ID: 1545484 | |
CIF file | Formula: - C15 H26 O - Comments: Inoue, 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 2(2) (2017) x170189 Space group: P 63 Cell volume: 2037.5 Cell parameters: 16.2421; 16.2421; 8.9182; 90; 90; 120; |
COD ID: 1545485 | |
CIF file | Formula: - C9.25 H15.25 Cl0.75 I N2 Se - Comments: Schollmeyer, Dieter; Detert, Heiner 3-Methyl-4,5,6,7,8,9-hexahydrocycloocteno-1,2,3-selenadiazolium iodide‒trichloromethane (4/1) IUCrData 2(2) (2017) x170167 Space group: P -1 Cell volume: 2610 Cell parameters: 10.525; 13.4368; 20.112; 71.141; 89.472; 76.46; |
COD ID: 1545486 | |
CIF file | Formula: - C16 H12 N2 O3 - Comments: Mague, 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 2(2) (2017) x170139 Space group: P -1 Cell volume: 641.34 Cell parameters: 7.7193; 8.6977; 9.5907; 90.457; 95.07; 90.627; |
COD ID: 1545487 | |
CIF file | Formula: - C19 H19 N O2 - Comments: Ramprasad, N.; Gowda, K. V. Arjuna; Gowda, Ramakrishna; Basanagouda, Mahantesha; Kantharaj, K. S.; Gowda, G. V. Jagadeesha 2-(5-Methyl-1-benzofuran-3-yl)-<i>N</i>-(2-phenylethyl)acetamide IUCrData 2(2) (2017) x170200 Space group: P 1 21/a 1 Cell volume: 1635.5 Cell parameters: 9.44; 14.6051; 12.321; 90; 105.68; 90; |
COD ID: 1545488 | |
CIF file | Formula: - C14 H11 Cl N2 O4 - Comments: Öv Bodur, Gönül Sevde; Yavuz, Metin; Dege, Necmi; Bülbül, Hakan; Ağar, Erbil (<i>E</i>)-2-{[(5-Chloro-2-methoxyphenyl)imino]methyl}-4-nitrophenol IUCrData 2(2) (2017) x170177 Space group: P 1 21/c 1 Cell volume: 1367.6 Cell parameters: 14.3727; 4.8669; 22.3233; 90; 118.859; 90; |
COD ID: 1545489 | |
CIF file | Formula: - C9 H3 Cl9 - Comments: Tober, Natalie; Schollmeyer, Dieter; Detert, Heiner 1,3,5-Trichloro-2,4,6-tris(dichloromethyl)benzene IUCrData 2(2) (2017) x170227 Space group: P 43 Cell volume: 1452.01 Cell parameters: 9.5435; 9.5435; 15.9424; 90; 90; 90; |
COD ID: 1545490 | |
CIF file | Formula: - C15 H17 N5 S - Comments: Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A.; Hawaiz, Farouq E.; Abdel-Rahman, Hamdy M. 3-[(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]-4-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione IUCrData 2(2) (2017) x170153 Space group: P 1 21/n 1 Cell volume: 1586.06 Cell parameters: 7.9322; 15.2415; 13.6694; 90; 106.316; 90; |
COD ID: 1545491 | |
CIF file | Formula: - C6 H8 Cl2 N2 Pd - Comments: Konno, Yosuke; Matsushita, Nobuyuki Dichlorido(<i>o</i>-phenylenediamine)palladium(II) IUCrData 2(2) (2017) x170144 Space group: P 1 2/c 1 Cell volume: 440.83 Cell parameters: 7.0734; 10.4076; 6.7019; 90; 116.683; 90; |
COD ID: 1545492 | |
CIF file | Formula: - C18 H8 F26 N2 S3 - Comments: Partl, Gabriel; Laus, Gerhard; Wurst, Klaus; Kopacka, Holger; Müller, Thomas; Huppertz, Hubert; Schottenberger, Herwig 2,5-Bis[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfanyl]-1,3,4-thiadiazole IUCrData 2(2) (2017) x170110 Space group: C 1 2/c 1 Cell volume: 2785.4 Cell parameters: 41.014; 5.7338; 11.88; 90; 94.442; 90; |
COD ID: 1545493 | |
CIF file | Formula: - C9 H14 N6 O6 - Comments: Lahmidi, Sanae; Essassi, El Mokhtar; Benchidmi, Mohammed; Saadi, Mohamed; El Ammari, Lahcen 3,5-Diamino-4<i>H</i>-1,2,4-triazol-1-ium 4-nitrobenzoate dihydrate IUCrData 2(2) (2017) x170159 Space group: P 1 21/n 1 Cell volume: 1347.14 Cell parameters: 7.205; 19.8831; 9.7676; 90; 105.691; 90; |
COD ID: 1545494 | |
CIF file | Formula: - C12 H17 N O7 S - Comments: Thayanithi, V.; Kumar, P. Praveen; Gunasekaran, B. <small>L</small>-Glutaminium 4-methylbenzenesulfonate IUCrData 2(2) (2017) x170162 Space group: P 1 21 1 Cell volume: 1449.32 Cell parameters: 5.454; 8.8013; 30.2297; 90; 92.835; 90; |
COD ID: 1545495 | |
CIF file | Formula: - C9 H9 N O S - Comments: Ellouz, Mohamed; Sebbar, Nada Kheira; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T. 4-Methyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one IUCrData 2(2) (2017) x170097 Space group: P b c a Cell volume: 1700.8 Cell parameters: 7.3148; 8.403; 27.67; 90; 90; 90; |
COD ID: 1545496 | |
CIF file | Formula: - C23 H19 N O3 - Comments: Ravi, A. J.; Vinduvahini, M.; Vinayaka, A. C.; Sadashiva, M. P.; Devarajegowda, H. C. (<i>Z</i>)-2-(4-Methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione IUCrData 2(2) (2017) x170043 Space group: P 1 21/c 1 Cell volume: 1865.96 Cell parameters: 10.1567; 8.5396; 21.8019; 90; 99.329; 90; |
COD ID: 1545497 | |
CIF file | Formula: - C6 H11 N O6 - Comments: Asserar, Fatima; Guenoun, Farhate; Sekkat, Chakib; Labrim, Hicham; Marah, Hamid; Zouihri, Hafid; Yamni, Khalid Piperazine-1,4-diium bis(3-carboxy-2,3-dihydroxypropanoate) IUCrData 2(2) (2017) x170249 Space group: P 41 21 2 Cell volume: 1573.85 Cell parameters: 7.5446; 7.5446; 27.6498; 90; 90; 90; |
COD ID: 1545498 | |
CIF file | Formula: - C30 H32 N2 O2 - Comments: Bendia, Sabrina; Ouari, Kamel; Karmazin, Lydia 1,1'-{(1<i>E</i>,1'<i>E</i>)-[Octane-1,8-diylbis(azanylylidene)]bis(methanylylidene)}bis(naphthalen-2-ol) in the zwitterionic form IUCrData 2(2) (2017) x170169 Space group: C 1 2/c 1 Cell volume: 2389.9 Cell parameters: 18.0993; 14.2646; 9.599; 90; 105.345; 90; |
COD ID: 1545499 | |
CIF file | Formula: - C18 H22 N4 O3 - Comments: Wen, Gao-Ju; Wang, Ming-Xin; Gu, Lian-Shuai Ethyl 3-[3-amino-4-methylamino-<i>N</i>-(pyridin-2-yl)benzamido]propanoate IUCrData 2(2) (2017) x161941 Space group: P -1 Cell volume: 901.2 Cell parameters: 8.338; 10.435; 10.885; 102.95; 97.94; 97.51; |
COD ID: 1545500 | |
CIF file | Formula: - C13 H11 Cl N4 O S - Comments: Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A.; Hawaiz, Farouq E.; Abdel-Rahman, Hamdy M. 5-{[5-(4-Chlorophenyl)-3-methyl-1<i>H</i>-pyrazol-1-yl]methyl}-1,3,4-oxadiazole-2(3<i>H</i>)-thione IUCrData 2(2) (2017) x170176 Space group: P 1 21/c 1 Cell volume: 1405.16 Cell parameters: 4.9309; 17.1173; 16.6517; 90; 91.189; 90; |
COD ID: 1545501 | |
CIF file | Formula: - C16 H24 Cl2 O - Comments: Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Ait Elhad, Mustapha; Oukhrib, Abdelouahd; Berraho, Moha 1-[(1<i>R</i>,2<i>S</i>,4<i>R</i>,7<i>S</i>)-3,3-Dichloro-4,11,11-trimethyltricyclo[5.4.0.0^2,4^]undecan-7-yl]ethanone IUCrData 2(2) (2017) x170198 Space group: P 21 21 21 Cell volume: 3222.9 Cell parameters: 13.373; 13.996; 17.219; 90; 90; 90; |
COD ID: 1545502 | |
CIF file | Formula: - C21 H16 Br F N2 O2 S - Comments: Yadav, C. Suresh; Viswanathan, Vijayan; Kannadasan, Sathananthan; Velmurugan, Devadasan <i>N</i>-[(3-Bromo-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methyl]-4-fluoroaniline IUCrData 2(2) (2017) x170147 Space group: P -1 Cell volume: 939.81 Cell parameters: 8.1732; 10.5828; 12.1781; 113.699; 94.617; 99.203; |
COD ID: 1545503 | |
CIF file | Formula: - C21 H21 F2 N3 O4 S - Comments: Ma, Qing-Shuang; Wang, Xiao-Guang; Xu, Lei; Bin, Sun; Xia, Dao-Hong; Zheng, Geng-Xiu {(3<i>S</i>,5<i>R</i>)-5-(2,4-Difluorophenyl)-5-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-3-yl}methyl 4-methylbenzenesulfonate IUCrData 2(2) (2017) x170242 Space group: P 1 21 1 Cell volume: 1063.62 Cell parameters: 5.93718; 16.9484; 10.8841; 90; 103.797; 90; |
COD ID: 1545504 | |
CIF file | Formula: - C38 H42 N2 O8 Rh2 - Comments: Selent, Detlef; Drexler, Hans-Joachim Tetrakis(μ-benzoato-κ^2^<i>O</i>:<i>O</i>')bis[(piperidine-κ<i>N</i>)rhodium] IUCrData 2(2) (2017) x170205 Space group: P 1 21/n 1 Cell volume: 1749.41 Cell parameters: 10.7224; 11.1042; 14.7761; 90; 96.078; 90; |
COD ID: 1545505 | |
CIF file | Formula: - C17 H12 N4 O2 - Comments: Ghomsi Nathan, Joseph Tene; Hamou Ahabchane, Noureddine; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T. 1-(3-Phenyl-1<i>H</i>-pyrazol-5-yl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione IUCrData 2(2) (2017) x170073 Space group: P 1 21/c 1 Cell volume: 1432.52 Cell parameters: 12.632; 9.3954; 12.3733; 90; 102.708; 90; |
COD ID: 1545506 | |
CIF file | Formula: - C18 H16 N2 O - Comments: Chetioui, Souheyla; Boutebdja, Mehdi; Boudraa, Mhamed; Touzani, Rachid; Merazig, Hocine (<i>E</i>)-1-[2-(3,4-Dimethylphenyl)diazen-2-ium-1-yl]naphthalen-2-olate IUCrData 2(2) (2017) x170259 Space group: P 1 21/c 1 Cell volume: 1437.44 Cell parameters: 11.6326; 6.1866; 20.1712; 90; 98.023; 90; |
COD ID: 1545507 | |
CIF file | Formula: - C13 H11 I N O3.5 S - Comments: Suchetan, P. A.; Sudha, A. G.; Suresha, E.; Lokanath, N. K.; Naveen, S.; Warad, Ismail 4-Iodo-<i>N</i>-(phenylsulfonyl)benzamide hemihydrate IUCrData 2(2) (2017) x170149 Space group: P -1 Cell volume: 1378.59 Cell parameters: 10.6311; 11.0403; 12.034; 97.594; 92.173; 99.423; |
COD ID: 1545508 | |
CIF file | Formula: - C7 H6 N2 Se - Comments: Ouahine, Halima; Ait Ali, Mustapha; El Firdoussi, Larbi; Spannenberg, Anke 5-Methylbenzo[<i>d</i>][2,1,3]selenadiazole IUCrData 2(2) (2017) x170226 Space group: P 1 21/c 1 Cell volume: 686.58 Cell parameters: 10.2436; 4.7669; 14.1543; 90; 96.6007; 90; |
COD ID: 1545523 | |
CIF file | Formula: - C14 H16 N6 S4 - Comments: Sonia, A. S.; Baskaran, R.; Selvanayagam, S. Crystal structure of 3-[({[bis(2-cyanoethyl)carbamothioyl]disulfanyl}methanethioyl)(2-cyanoethyl) amino]propanenitrile IUCrData 2(3) (2017) Space group: C 1 2/c 1 Cell volume: 1875.77 Cell parameters: 15.4313; 5.6117; 22.8702; 90; 108.713; 90; |
COD ID: 1545554 | |
CIF file | Formula: - C14 H20 N4 - Comments: Begum, Farzana; Twamley, Brendan; Baker, Robert J. (<i>E</i>)-1,1'-(Diazene-1,2-diyl)bis(cyclohexane-1-carbonitrile) IUCrData 2(3) (2017) x170369 Space group: P 1 21/n 1 Cell volume: 693.4 Cell parameters: 5.874; 21.077; 5.974; 90; 110.372; 90; |
COD ID: 1545555 | |
CIF file | Formula: - C12 H7 Cl4 N O2 S - Comments: Shakuntala, K.; Lokanath, N. K.; Naveen, S.; Suchetan, P. A. 3,5-Dichloro-<i>N</i>-(2,4-dichlorophenyl)benzenesulfonamide IUCrData 2(3) (2017) x170372 Space group: P -1 Cell volume: 705.96 Cell parameters: 8.1107; 8.2615; 11.2048; 86.791; 70.625; 85.783; |
COD ID: 1545556 | |
CIF file | Formula: - C17 H19 N O3 - Comments: Ait Elhad, Mustapha; Benharref, Ahmed; Taourirte, Moha; Daran, Jean-Claude; Oukhrib, Abdelouahd; Berraho, Moha 1-(7-Isopropyl-2,5-dimethyl-8-nitronaphthalen-1-yl)ethanone IUCrData 2(3) (2017) x170368 Space group: P 1 21/n 1 Cell volume: 1469.99 Cell parameters: 10.857; 9.0549; 14.955; 90; 91.006; 90; |
COD ID: 1545557 | |
CIF file | Formula: - C13 H11 Cl2 N O2 S - Comments: Shakuntala, K.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A. 3,5-Dichloro-<i>N</i>-(4-methylphenyl)benzenesulfonamide IUCrData 2(3) (2017) x170375 Space group: P 21 21 21 Cell volume: 1415.19 Cell parameters: 6.1673; 13.0059; 17.6433; 90; 90; 90; |
COD ID: 1545558 | |
CIF file | Formula: - C11 H5 Br2 Cl O3 - Comments: Yarbagi, K. M.; Chennuru, R.; Paul, D.; Venkateswara Rao, B.; Mahapatra, S. 6-Chloro-3-(2,2-dibromoacetyl)-2<i>H</i>-chromen-2-one IUCrData 2(3) (2017) x170356 Space group: P 1 21/n 1 Cell volume: 1193.4 Cell parameters: 7.9086; 6.7115; 22.64; 90; 96.744; 90; |
COD ID: 1545559 | |
CIF file | Formula: - C8 H3 Br2 N O2 - Comments: Golen, James A.; Manke, David R. 5,6-Dibromo-1<i>H</i>-indole-2,3-dione IUCrData 2(3) (2017) x170355 Space group: P -1 Cell volume: 847.1 Cell parameters: 7.1044; 10.5317; 12.2598; 108.078; 93.481; 101.484; |
COD ID: 1545560 | |
CIF file | Formula: - C17 H16 Cl N5 O3 - Comments: Sun, Yanwen; Wu, Haolei; Wei, Changheng; Gao, Mei; Shen, Zeyi; Li, Hongsen 4-Chloro-5-(morpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazole-2-yl)methyl]pyridazin-3(2<i>H</i>)-one IUCrData 2(3) (2017) x170370 Space group: P 21 21 21 Cell volume: 1682 Cell parameters: 4.7931; 10.4177; 33.685; 90; 90; 90; |
COD ID: 1545565 | |
CIF file | Formula: - C17 H12 O4 - Comments: Li, Weijie; Xiao, Yongmei; Yuan, Jinwei; Yang, Liangru; Mao, Pu 3-Benzoyl-7-methoxy-2<i>H</i>-chromen-2-one IUCrData 2(3) (2017) x170373 Space group: P 1 21/c 1 Cell volume: 1342.21 Cell parameters: 4.07206; 11.9589; 27.5626; 90; 90.306; 90; |
COD ID: 1545566 | |
CIF file | Formula: - C4 H2 Au K N4 O - Comments: Matsushita, Nobuyuki; Noguchi, Wataru; Tanaka, Rikako Potassium tetracyanidoaurate(III) monohydrate: a redetermination IUCrData 2(3) (2017) Space group: P 21 21 21 Cell volume: 819.63 Cell parameters: 6.646; 7.0733; 17.4356; 90; 90; 90; |
COD ID: 1545567 | |
CIF file | Formula: - C9 H7 N O2 - Comments: Lyncee, Myrria-Tahisha A.; Desikan, Vasumathi; Golen, James A.; Manke, David R. 7-Methyl-1<i>H</i>-indole-2,3-dione IUCrData 2(3) (2017) x170378 Space group: P 1 21/n 1 Cell volume: 729.77 Cell parameters: 7.8114; 3.8832; 24.362; 90; 99.055; 90; |
COD ID: 1545585 | |
CIF file | Formula: - C15 H14 O4 - Comments: Jiang, Yidong; Wang, Yifeng Methyl 4-methyl-2-oxo-3,4-dihydrodibenzo[<i>b</i>,<i>d</i>]furan-4a(2<i>H</i>)-carboxylate IUCrData 2(3) (2017) x170395 Space group: P 1 21/c 1 Cell volume: 1277.2 Cell parameters: 7.5629; 8.205; 20.587; 90; 91.147; 90; |
COD ID: 1545586 | |
CIF file | Formula: - C23 H32 N2 O - Comments: Rani, C. Vidya; Mitu, L.; Chakkaravarthi, G.; Rajagopal, G. 4,6-Di-<i>tert</i>-butyl-2-{(<i>E</i>)-[4-(dimethylamino)phenylimino]methyl}phenol IUCrData 2(3) (2017) x170396 Space group: P 1 21/c 1 Cell volume: 2125.6 Cell parameters: 22.8029; 9.9908; 9.3304; 90; 90.247; 90; |
COD ID: 1545587 | |
CIF file | Formula: - C14 H20 N4 Si2 - Comments: Li, Rui; Duan, Xin-E; Cao, Wei; Wei, Xue-Hong A pyridyl-substituted cyclodisilazane [(Apy)~2~(μ-SiMe)~2~] (ApyH~2~ = 2-aminopyridine) IUCrData 2(3) (2017) x170400 Space group: P 1 21/n 1 Cell volume: 815.25 Cell parameters: 9.8504; 8.5234; 10.312; 90; 109.673; 90; |
COD ID: 1545620 | |
CIF file | Formula: - C14 H14 N2 O4 - Comments: Sivakumar, P.; Anzline, C.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G. 2-Amino-3-methylpyridinium hydrogen phthalate IUCrData 2(3) (2017) x170422 Space group: P -1 Cell volume: 666.46 Cell parameters: 7.1675; 8.8143; 10.6613; 91.968; 96.362; 94.745; |
COD ID: 1545621 | |
CIF file | Formula: - C16 H12 N2 O3 S - Comments: Rayni, Ibtissam; El Bakri, Youness; Sebhaoui, Jihad; El Bourakadi, Khadija; Essassi, El Mokhtar; Mague, Joel T. 1-{[3-(Thiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-2,3-dihydro-1<i>H</i>-indole-2,3-dione IUCrData 2(3) (2017) x170315 Space group: P 1 21/n 1 Cell volume: 1434.69 Cell parameters: 7.3834; 11.7331; 16.9144; 90; 101.731; 90; |
COD ID: 1545622 | |
CIF file | Formula: - C17 H24 Cl2 - Comments: Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Mazoir, Noureddine; Berraho, Moha (1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyl-11-methylenetricyclo[6.4.0.0^1,3^]dodec-9-ene IUCrData 2(3) (2017) x170421 Space group: P 21 21 21 Cell volume: 1623.75 Cell parameters: 6.5995; 13.4865; 18.2435; 90; 90; 90; |
COD ID: 1545623 | |
CIF file | Formula: - C22 H23 Cl N2 O2 S - Comments: Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A.; Albayati, Mustafa R. 7-Acetyl-8-(4-chlorophenyl)-3-ethylsulfanyl-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUCrData 2(3) (2017) x170390 Space group: P -1 Cell volume: 1058.5 Cell parameters: 9.4083; 9.514; 12.7168; 86.863; 79.175; 71.222; |
COD ID: 1545647 | |
CIF file | Formula: - C11 H11 N3 O4 - Comments: Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T. Ethyl 2-(6-nitro-1<i>H</i>-indazol-1-yl)acetate IUCrData 2(3) (2017) x170432 Space group: P 1 21/c 1 Cell volume: 2245.64 Cell parameters: 12.6867; 21.7492; 8.1393; 90; 90.772; 90; |
COD ID: 1545648 | |
CIF file | Formula: - C10 H10 N2 O S - Comments: El Ouassif, Latifa; El Ghoul, Mostafa; Achour, Redouane; Saadi, Mohamed; El Ammari, Lahcen 3,4-Dihydro-2<i>H</i>-benzo[4,5]imidazo[2,1-<i>b</i>][1,3]thiazin-3-ol IUCrData 2(3) (2017) x170429 Space group: P 1 21/c 1 Cell volume: 992.4 Cell parameters: 17.57; 6.3994; 8.869; 90; 95.641; 90; |
COD ID: 1545649 | |
CIF file | Formula: - C15 H10 Br2 N2 O - Comments: Essaghouani, Abdelhanine; Boulhaoua, Mohammed; Lahmidi, Sanae; Mohamed Abdelahi, Mohamed Mokhtar; Essassi, El Mokhtar; Mague, Joel T. (3<i>S</i>)-3,8-Dibromo-4-phenyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazapin-2-one IUCrData 2(3) (2017) x170389 Space group: P -1 Cell volume: 687.77 Cell parameters: 7.8931; 9.9295; 10.2411; 101.751; 105.968; 109.482; |
COD ID: 1545650 | |
CIF file | Formula: - C20 H16 Cl N O2 - Comments: Preveena, Narasimhamurthy; Hosamani, Amar A.; Praveen, Managutti; Nagendrappa, Gopalpur; Guru Row, Tayur N. <i>cis</i>-[3-(2-Chloro-6-methylquinolin-3-yl)oxiran-2-yl](<i>p</i>-tolyl)methanone IUCrData 2(3) (2017) x170434 Space group: P -1 Cell volume: 828.2 Cell parameters: 7.412; 10.963; 11.07; 105.124; 95.633; 104.398; |
COD ID: 1545651 | |
CIF file | Formula: - C17 H18 Br N O5 - Comments: Meng, Chen-Hong; Xia, Ai-Bao <i>tert</i>-Butyl (2<i>S</i>,3<i>R</i>,4<i>R</i>)-7'-bromo-4-methyl-2',5-dioxo-4,5-dihydro-3<i>H</i>-spiro[furan-2,3'-indoline]-3-carboxylate IUCrData 2(3) (2017) x170412 Space group: P 21 21 21 Cell volume: 1834.8 Cell parameters: 7.704; 9.325; 25.54; 90; 90; 90; |
COD ID: 1545652 | |
CIF file | Formula: - C8 H8 N Na O7 S - Comments: Mills-Robles, Heather A.; Desikan, Vasumathi; Golen, James A.; Manke, David R. Poly[diaqua(μ~3~-2,3-dioxoindoline-5-sulfonato)sodium] IUCrData 2(3) (2017) x170440 Space group: P -1 Cell volume: 569.6 Cell parameters: 7.4526; 7.9888; 10.692; 85.916; 80.181; 65.237; |
COD ID: 1545756 | |
CIF file | Formula: - C14 H11 N O Se - Comments: Wang, Liyun; Xu, Ying; Guo, Zhiqiang; Wei, Xuehong 2-(3-Methylphenyl)-1,2-benzoselenazol-3(2<i>H</i>)-one IUCrData 2(4) (2017) x170532 Space group: P 1 21/c 1 Cell volume: 1151.6 Cell parameters: 15.561; 5.9415; 12.471; 90; 92.799; 90; |
COD ID: 1546550 | |
CIF file | Formula: - C14 H20 Br2 O2 - Comments: Maragatham, Gunasekaran; Selvarani, Sivasamy; Rajakumar, Perumal; Lakshmi, Srinivasakannan 1,4-Bis(4-bromobutoxy)benzene IUCrData 2(7) (2017) x171004 Space group: P 1 21/n 1 Cell volume: 741.68 Cell parameters: 9.0845; 5.3436; 15.3509; 90; 95.567; 90; |
COD ID: 1546551 | |
CIF file | Formula: - C8 H9 N O2 S2 - Comments: Hamdouni, Noudjoud; Boudjada, Ali; Meinnel, Jean; Fiala, Abdelali; Brahim Ladouani, Hayet; Lemallem, Salah Eddine Methyl 2-cyano-2-(1,3-dithian-2-ylidene)acetate IUCrData 2(7) (2017) x171018 Space group: P 1 21/c 1 Cell volume: 973.61 Cell parameters: 7.4927; 15.2501; 8.5522; 90; 94.923; 90; |
COD ID: 1546552 | |
CIF file | Formula: - C20 H19 N3 O3 S - Comments: Ramli, Youssef; Guerrab, Walid; Moussaif, Ahmed; Taoufik, Jamal; Essassi, El Mokhtar; Mague, Joel T. 3-[2-(5-Oxo-4,4-diphenyl-2-sulfanylideneimidazolidin-1-yl)ethyl]-1,3-oxazolidin-2-one IUCrData 2(7) (2017) x171041 Space group: P 1 21/n 1 Cell volume: 1846.9 Cell parameters: 9.1211; 14.6521; 14.2448; 90; 104.037; 90; |
COD ID: 1546553 | |
CIF file | Formula: - C4 H10 N3 O4 P - Comments: Sindhusha, S.; Padma, C. M.; Gunasekaran, B. Creatininium phosphite IUCrData 2(7) (2017) x171043 Space group: P 1 21/c 1 Cell volume: 868 Cell parameters: 8.8083; 6.6316; 15.068; 90; 99.539; 90; |
COD ID: 1546554 | |
CIF file | Formula: - C11 H10 N2 O2 - Comments: Lahmidi, Sanae; Abad, Nadeem; Boulhaoua, Mohammed; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T. 3-Acetyl-2-methyl-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-4-one IUCrData 2(7) (2017) x170991 Space group: P -1 Cell volume: 465.63 Cell parameters: 3.7716; 10.3959; 12.328; 78.017; 83.431; 81.266; |
COD ID: 1546555 | |
CIF file | Formula: - C6 H10 O3 S2 - Comments: Eyer, Lukas N.; McAdam, C. John; Simpson, Jim 2-(Ethoxycarbonothioylthio)propanoic acid IUCrData 2(7) (2017) x171035 Space group: P -1 Cell volume: 451.93 Cell parameters: 7.4093; 7.9779; 8.625; 67.3; 85.9; 74.068; |
COD ID: 1546587 | |
CIF file | Formula: - C12 H13 Cl N2 O2 - Comments: El Janati, Ali; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar 6-Chloro-1,4-diethylquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione IUCrData 2(7) (2017) x171052 Space group: I 1 2/a 1 Cell volume: 2403.5 Cell parameters: 14.6454; 12.0415; 15.1149; 90; 115.621; 90; |
COD ID: 1546588 | |
CIF file | Formula: - C12 H12 N2 O2 - Comments: Sebhaoui, Jihad; El Bakri, Youness; Essassi, El Mokhtar; Mague, Joel T. (4<i>Z</i>)-4-(2-Oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one IUCrData 2(7) (2017) x171057 Space group: P -1 Cell volume: 518.21 Cell parameters: 4.5801; 10.87; 10.971; 101.043; 98.854; 99.868; |
COD ID: 1546589 | |
CIF file | Formula: - C72 H76 B2 N4 Ni S2 - Comments: Meloccaro, Alexandra; Zimmerman, Joshua R.; Eichhorn, David M. Bis{2-[({[3-(dimethylazaniumyl)propyl]imino}methyl)phenyl]sulfanido}nickel(II) tetraphenylborate IUCrData 2(7) (2017) x171067 Space group: C 1 2/c 1 Cell volume: 5905.6 Cell parameters: 16.376; 9.9864; 36.605; 90; 99.419; 90; |
COD ID: 1546627 | |
CIF file | Formula: - C16 H18 N4 O2 Se2 - Comments: Guo, Zhiqiang; Wang, Yakong; Xu, Ying; Wei, Xuehong 2,2'-(Diselane-1,2-diyl)bis(<i>N</i>,<i>N</i>-dimethylnicotinamide) IUCrData 2(6) (2017) x170882 Space group: P 1 21/n 1 Cell volume: 866.8 Cell parameters: 7.167; 8.726; 13.947; 90; 96.375; 90; |
COD ID: 1546628 | |
CIF file | Formula: - C29 H45 N O5 - Comments: Carrasco-Carballo, Alan; Guerrero-Luna, Gabriel; Hernández Linares, María-Guadalupe; Bernès, Sylvain (3β,5α,25<i>R</i>)-12-(Hydroxyimino)spirostan-3-yl acetate IUCrData 2(4) (2017) x170491 Space group: P 21 21 21 Cell volume: 2728.58 Cell parameters: 8.3161; 9.9302; 33.0414; 90; 90; 90; |
COD ID: 1546629 | |
CIF file | Formula: - C12 H18 N6 O9 - Comments: Jaikumar, P.; Sundar, T. V.; Sharmila, N.; Balakrishnan, T.; Ramamurthi, K. Hydrogen-bonding patterns in bis(cytosinium) tartarate monohydrate IUCrData 2(3) (2017) x170448 Space group: P 21 21 21 Cell volume: 1629 Cell parameters: 7.6932; 10.1152; 20.9336; 90; 90; 90; |
COD ID: 1546630 | |
CIF file | Formula: - C9 H7 N3 O3 - Comments: Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; El Karkour, Meryeme; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T. 1-(6-Nitro-1<i>H</i>-indazol-1-yl)ethanone IUCrData 2(6) (2017) x170831 Space group: P 1 21/c 1 Cell volume: 896.43 Cell parameters: 3.8919; 20.4831; 11.258; 90; 92.757; 90; |
COD ID: 1546631 | |
CIF file | Formula: - C24 H18 N2 O - Comments: Mayakrishnan, Sivakalai; Arun, Y.; Maheswari, Narayanan Uma 3-Methyl-5,6-diphenyl-1<i>H</i>-pyrazolo[1,2-<i>a</i>]cinnolin-1-one IUCrData 2(4) (2017) x170534 Space group: P -1 Cell volume: 1795.86 Cell parameters: 9.9251; 12.2293; 15.1738; 84.318; 78.538; 89.88; |
COD ID: 1546632 | |
CIF file | Formula: - C15 H16 N3 O3.5 S - Comments: Bouissane, Latifa; Mojahidi, Souad; Rakib, El Mostapha; Chicha, Hakima; Saadi, Mohamed; El Ammari, Lahcen 4-Methoxy-<i>N</i>-(1-methyl-1<i>H</i>-indazol-7-yl)benzenesulfonamide hemihydrate IUCrData 2(5) (2017) x170645 Space group: P -1 Cell volume: 1566.3 Cell parameters: 8.3013; 13.1934; 15.3583; 103.241; 105.47; 93.046; |
COD ID: 1546633 | |
CIF file | Formula: - C15 H10 F6 O3 S - Comments: Olszowy, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz 3,5-Bis(trifluoromethyl)phenyl 4-methylbenzenesulfonate IUCrData 2(7) (2017) x170981 Space group: P -1 Cell volume: 792.56 Cell parameters: 8.2805; 8.6053; 12.2396; 103.519; 99.935; 105.188; |
COD ID: 1546634 | |
CIF file | Formula: - C33 H27 N O2 - Comments: Varadharajan, E.; Ramkumar, V.; Scholastica, M. V. B.; Augustine, Arul Prasad T. 3-Benzylidene-1'-methyl-4'-phenyldispiro[cyclopentane-1,3'-pyrrolidine-2',1''-acenaphthene]-2,2''-dione IUCrData 2(4) (2017) x170581 Space group: P c a 21 Cell volume: 2579.94 Cell parameters: 17.5297; 12.1853; 12.0781; 90; 90; 90; |
COD ID: 1546635 | |
CIF file | Formula: - C10 H10 Cl N3 O3 - Comments: Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T. 1-Chloro-3-(6-nitro-1<i>H</i>-indazol-1-yl)propan-2-ol IUCrData 2(5) (2017) x170637 Space group: P -1 Cell volume: 561.19 Cell parameters: 4.3949; 9.9144; 13.1376; 98.481; 90.755; 97.377; |
COD ID: 1546636 | |
CIF file | Formula: - C21 H19 N3 O2 - Comments: Moriwaki, Ryoji; Yagi, Shiomi; Haraguchi, Tomoyuki; Akitsu, Takashiro 6-[(<i>R</i>)-(2-Hydroxy-1-phenylethyl)aminomethylidene]-4-(2-phenyldiazen-1-yl)cyclohexa-2,4-dien-1-one IUCrData 2(7) (2017) x170979 Space group: P 1 21 1 Cell volume: 862.61 Cell parameters: 9.0503; 5.9762; 16.3508; 90; 102.732; 90; |
COD ID: 1546637 | |
CIF file | Formula: - C15 H22 O4 - Comments: Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim Methyl 3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoate IUCrData 2(4) (2017) x170500 Space group: P 1 21 1 Cell volume: 699.19 Cell parameters: 8.7453; 8.6888; 9.2511; 90; 95.936; 90; |
COD ID: 1546638 | |
CIF file | Formula: - C33 H48 O8 - Comments: Kavitha, T.; Anandkumar, Devaraj; Rajakumar, Perumal; Bargavi, Srinivasan; Lakshmi, Srinivasakannan (3<i>R</i>,5<i>S</i>,7<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>,12<i>S</i>,13<i>R</i>,14<i>S</i>)-10,13-Dimethyl-17-[5-oxo-5-(prop-2-yn-1-yloxy)pentan-2-yl]hexadecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthrene-3,7,12-triyl triacetate IUCrData 2(3) (2017) x170436 Space group: P 21 21 21 Cell volume: 3199.78 Cell parameters: 9.7437; 12.2437; 26.8215; 90; 90; 90; |
COD ID: 1546639 | |
CIF file | Formula: - C16 H22 N4 S2 - Comments: Partl, Gabriel; Laus, Gerhard; Kahlenberg, Volker; Huppertz, Hubert; Schottenberger, Herwig 3,3'-(Hexane-1,6-diyl)bis(1-vinyl-4-imidazoline-2-thione) IUCrData 2(4) (2017) x170599 Space group: P -1 Cell volume: 868.75 Cell parameters: 7.1335; 10.6863; 11.883; 99.856; 93.53; 101.937; |
COD ID: 1546640 | |
CIF file | Formula: - C16 H9 F O4 - Comments: Ziki, Eric; Sosso, Siaka; Cissé, Lamine; Bany, Guy Euloge; Djandé, Abdoulaye; Kakou-Yao, Rita 2-Oxo-2<i>H</i>-chromen-3-yl 4-fluorobenzoate IUCrData 2(4) (2017) x170550 Space group: P -1 Cell volume: 633.21 Cell parameters: 6.8116; 7.2402; 13.4826; 96.943; 90.862; 106.139; |
COD ID: 1546641 | |
CIF file | Formula: - C16 H11 N O3 - Comments: Filali Baba, Yassir; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar Prop-2-ynyl 2-oxo-1-(prop-2-ynyl)-1,2-dihydroquinoline-4-carboxylate IUCrData 2(7) (2017) x171072 Space group: P -1 Cell volume: 642.36 Cell parameters: 7.307; 8.7763; 11.2927; 91.059; 107.867; 109.814; |
COD ID: 1546642 | |
CIF file | Formula: - C20 H17 Cl N2 O3 S - Comments: Ellouz, Mohamed; Sebbar, Nada Kheira; Boulhaoua, Mohammed; Essassi, El Mokhtar; Mague, Joel T. (2<i>Z</i>)-2-(4-Chlorobenzylidene)-4-[2-(2-oxooxazoliden-3-yl)ethyl]-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one IUCrData 2(5) (2017) x170646 Space group: P 1 21/n 1 Cell volume: 1810.78 Cell parameters: 6.2315; 15.5466; 18.9162; 90; 98.845; 90; |
COD ID: 1546643 | |
CIF file | Formula: - C32 H30 N2 O4 - Comments: Chandralekha, Kuppan; Gavaskar, Deivasigamani; Sureshbabu, Adukamparai Rajukrishnan; Lakshmi, Srinivasakannan 5'-Benzylidene-1''-methyl-4''-phenyltrispiro[1,3-dioxolane-2,1'-cyclohexane-3',3''-pyrrolidine-2'',3'''-indole]-4',2'''-dione IUCrData 2(5) (2017) x170639 Space group: P 1 21/n 1 Cell volume: 2582.34 Cell parameters: 13.9601; 11.1172; 16.7313; 90; 96.019; 90; |
COD ID: 1546644 | |
CIF file | Formula: - C23 H23 Cl N2 O4 S - Comments: Mague, Joel T.; Al-Taifi, Elham A.; Mohamed, Shaaban K.; Akkurt, Mehmet; Bakhite, Etify A. Methyl 2-{[(6<i>S*</i>,7<i>R*</i>,8<i>S*</i>)-7-acetyl-8-(4-chlorophenyl)-4-cyano-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetate IUCrData 2(6) (2017) x170868 Space group: C 1 2/c 1 Cell volume: 4733.78 Cell parameters: 27.4679; 9.5818; 20.2584; 90; 117.398; 90; |
COD ID: 1546645 | |
CIF file | Formula: - C14 H20 N2 O5 - Comments: Sivakumar, P.; Ezhamani, G.; Israel, S.; Chakkaravarthi, G. 2-Amino-4-methylpyridinium 4-methoxybenzoate dihydrate IUCrData 2(5) (2017) x170649 Space group: C 1 2 1 Cell volume: 1541.9 Cell parameters: 13.6968; 12.1053; 9.6353; 90; 105.17; 90; |
COD ID: 1546646 | |
CIF file | Formula: - C15 H20 Br N3 O2 - Comments: Hjouji, Mohammed Yassin; Mague, Joel T.; Kandri Rodi, Youssef; Ouzidan, Younes; Ouazzani Chahdi, Fouad; Essassi, El Mokhtar 7-Bromo-1,4-dibutyl-1,2,3,4-tetrahydropyrido[2,3-<i>b</i>]pyrazine-2,3-dione IUCrData 2(7) (2017) x170984 Space group: P n a 21 Cell volume: 1556.5 Cell parameters: 22.569; 5.1097; 13.497; 90; 90; 90; |
COD ID: 1546647 | |
CIF file | Formula: - C17 H15 N5 - Comments: Sahbi, Azzeddine; Fichtali, Ismail; Mague, Joel T.; Ben-Tama, Abdeslem; El Hadrami, El Mestafa; Kandri Rodi, Youssef 1-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-1<i>H</i>-1,3-benzodiazole IUCrData 2(6) (2017) x170944 Space group: P 1 21/c 1 Cell volume: 1439.98 Cell parameters: 5.3483; 14.1861; 19.1408; 90; 97.451; 90; |
COD ID: 1546648 | |
CIF file | Formula: - C17 H20 N2 O4 S - Comments: Viswanathan, Vijayan; Yasmin, Sabina; Jayaprakash, Venkatesan; Velmurugan, Devadasan <i>N</i>,<i>N</i>-Diethyl-2-[5-(4-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide IUCrData 2(5) (2017) x170716 Space group: P 1 21/n 1 Cell volume: 1759.89 Cell parameters: 11.6978; 7.1331; 21.1822; 90; 95.311; 90; |
COD ID: 1546649 | |
CIF file | Formula: - C25 H22 N2 O2 S - Comments: Archana, K.; Saravanan, K.; Lakshmithendral, K.; Kabilan, S.; Selvanayagam, S. 3-(4-Methoxyphenyl)-4-methyl-<i>N</i>-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide IUCrData 2(5) (2017) x170721 Space group: P 1 21/c 1 Cell volume: 2143 Cell parameters: 9.784; 10.291; 21.58; 90; 99.528; 90; |
COD ID: 1546650 | |
CIF file | Formula: - C23 H18 O5 - Comments: Mayakrishnan, Sivakalai; Arun, Y.; Maheswari, Narayanan Uma 8-Hydroxy-3,4-bis(4-methoxyphenyl)-1<i>H</i>-isochromen-1-one IUCrData 2(4) (2017) x170535 Space group: P 1 21/n 1 Cell volume: 1819.5 Cell parameters: 5.8882; 16.418; 18.894; 90; 95.016; 90; |
COD ID: 1546651 | |
CIF file | Formula: - C17 H17 N3 O - Comments: Rayni, Ibtissam; El Bakri, Youness; Sebhaoui, Jihad; El Bourakadi, Khadija; Essassi, El Mokhtar; Mague, Joel T. 2-(1-Hexyl-2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene)propanedinitrile IUCrData 2(5) (2017) x170706 Space group: P n a 21 Cell volume: 1471.92 Cell parameters: 12.035; 24.5052; 4.9909; 90; 90; 90; |
COD ID: 1546652 | |
CIF file | Formula: - C13 H12 Hg S - Comments: Nath, Paras; Bharty, Manoj K.; Gupta, Sushil K.; Butcher, Ray J.; Jasinski, Jerry P. (Benzylthiolato-κS)phenylmercury(II) IUCrData 2(4) (2017) Space group: I -4 Cell volume: 2392.58 Cell parameters: 20.4402; 20.4402; 5.7266; 90; 90; 90; |
COD ID: 1546653 | |
CIF file | Formula: - C24 H38 N2 O2 - Comments: El Bourakadi, Khadija; El Bakri, Youness; Sebhaoui, Jihad; Rayni, Ibtissam; Essassi, El Mokhtar; Mague, Joel T. 1,4-Di-<i>n</i>-octyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione IUCrData 2(4) (2017) x170520 Space group: C 1 2/c 1 Cell volume: 4670.3 Cell parameters: 26.407; 14.3718; 12.9624; 90; 108.312; 90; |
COD ID: 1546654 | |
CIF file | Formula: - C12 H9 Cl N4 O4 S - Comments: Laachir, Abdelhakim; Bentiss, Fouad; Guesmi, Salaheddine; Saadi, Mohamed; El Ammari, Lahcen 2-[5-(Pyridin-2-yl)-1,3,4-thiadiazol-2-yl]pyridin-1-ium perchlorate IUCrData 2(3) (2017) x170465 Space group: C 1 2/c 1 Cell volume: 2721.3 Cell parameters: 33.5367; 5.5506; 14.7248; 90; 96.873; 90; |
COD ID: 1546655 | |
CIF file | Formula: - C19 H19 N3 - Comments: González, Gerardo García; Unnamatla, M. V. Basavanag 9-(1<i>H</i>-Benzo[<i>d</i>]imidazol-2-yl)-2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-pyrido[3,2,1-<i>ij</i>]quinoline IUCrData 2(3) (2017) x170445 Space group: P c a 21 Cell volume: 1522.62 Cell parameters: 14.054; 11.2639; 9.6184; 90; 90; 90; |
COD ID: 1546656 | |
CIF file | Formula: - C16 H10 O4 - Comments: Kambo, Konan René; Sosso, Siaka; Mansilla-Koblavi, F.; Djandé, Abdoulaye; Kakou-Yao, Rita 2-Oxo-2<i>H</i>-chromen-3-yl benzoate IUCrData 2(5) (2017) x170663 Space group: P -1 Cell volume: 619.22 Cell parameters: 6.9243; 7.7262; 11.8168; 84.55; 81.852; 83.023; |
COD ID: 1546657 | |
CIF file | Formula: - C22 H18 N3 O3.5 - Comments: Filali Baba, Yassir; Kandri Rodi, Youssef; Ouzidan, Younes; Mague, Joel T.; Ouazzani Chahdi, Fouad; Essassi, El Mokhtar (Pyridin-2-yl)methyl 2-oxo-1-[(pyridin-2-yl)methyl]-1,2-dihydroquinoline-4-carboxylate hemihydrate IUCrData 2(7) (2017) x171038 Space group: P 1 21/c 1 Cell volume: 1795.94 Cell parameters: 4.9634; 14.0708; 25.7168; 90; 90.602; 90; |
COD ID: 1546658 | |
CIF file | Formula: - C12 H13 Cl2 N O2 - Comments: Mohamooda Sumaya, U.; Reuben Jonathan, D.; Era, Dravida Thendral; Gomathi, S.; Usha, G. (2,4-Dichlorophenyl)(3-hydroxypiperidin-1-yl)methanone: crystal structure and Hirshfeld analysis IUCrData 2(6) (2017) x170813 Space group: P b c a Cell volume: 2586.3 Cell parameters: 13.9866; 7.9972; 23.122; 90; 90; 90; |
COD ID: 1546659 | |
CIF file | Formula: - C20 H30 N2 O2 - Comments: El Bourakadi, Khadija; El Bakri, Youness; Sebhaoui, Jihad; Rayni, Ibtissam; Essassi, El Mokhtar; Mague, Joel T. 1,4-Dihexyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione IUCrData 2(7) (2017) x171019 Space group: C 1 2/c 1 Cell volume: 1891.8 Cell parameters: 13.357; 9.209; 16.743; 90; 113.277; 90; |
COD ID: 1546660 | |
CIF file | Formula: - C33 H47 N O S - Comments: Sebbar, Nada Kheira; Ellouz, Mohamed; Lahmidi, Sanae; Hlimi, Fouzia; Essassi, El Mokhtar; Mague, Joel T. (2<i>Z</i>)-2-Benzylidene-4-octadecyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one IUCrData 2(5) (2017) x170695 Space group: P 1 21/c 1 Cell volume: 2885.05 Cell parameters: 33.8411; 4.7106; 18.0987; 90; 90.47; 90; |
COD ID: 1546661 | |
CIF file | Formula: - C22 H19 N3 O - Comments: Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A.; Albayati, Mustafa R. 2-[4,5-Diphenyl-2-(pyridin-4-yl)-1<i>H</i>-imidazol-1-yl]ethanol IUCrData 2(1) (2017) x170132 Space group: P 1 21/n 1 Cell volume: 1715.75 Cell parameters: 5.7619; 22.1304; 13.6271; 90; 99.102; 90; |
COD ID: 1546662 | |
CIF file | Formula: - C22 H21 N5 O - Comments: Adardour, Mohamed; Loughzail, Mohamed; Dahaoui, Slimane; Baouid, Abdesselam; Berraho, Moha 1-(Cyclohex-1-en-1-yl)-3-[(1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one IUCrData 2(6) (2017) x170907 Space group: P -1 Cell volume: 936.4 Cell parameters: 8.5878; 9.0603; 12.8566; 85.076; 82.558; 70.917; |
COD ID: 1546663 | |
CIF file | Formula: - C17 H16 N4 - Comments: Raghuvarman, B.; Gayathri, Jayagopi; Selvan, Kumar Sangeetha; Sugumar, P.; Ponnuswamy, M. N. (<i>E</i>)-<i>N</i>-(1<i>H</i>-Pyrrol-2-ylmethylidene)-2-{[(<i>E</i>)-(1<i>H</i>-pyrrol-2-ylmethylidene)amino]methyl}aniline IUCrData 2(4) (2017) x170540 Space group: P 1 21 1 Cell volume: 1528.9 Cell parameters: 9.968; 15.529; 10.119; 90; 102.558; 90; |
COD ID: 1546664 | |
CIF file | Formula: - C67 H72 B Br Fe N2 O P2 - Comments: Smith, Samantha A. M.; Lough, Alan J.; Morris, Robert H. Bromidocarbonyl{(1<i>S</i>,2<i>S</i>)-<i>N</i>-[2-(dicyclohexylphosphanyl)ethylidenyl]-<i>N</i>'-[2-(diphenylphosphanyl)ethyl]-1,2-diphenylethane-1,2-diamine}iron(II) tetraphenylborate IUCrData 2(3) (2017) x170452 Space group: P 1 Cell volume: 3048.9 Cell parameters: 12.8083; 14.637; 18.9082; 106.916; 98.406; 110.635; |
COD ID: 1546665 | |
CIF file | Formula: - C8 H15 N O5 S - Comments: Laus, Gerhard; Wurst, Klaus; Nerdinger, Sven; Richter, Frank; Schottenberger, Herwig (<i>R</i>)-3-(<i>tert</i>-Butoxycarbonyl)-5-methyl-1,2,3-oxathiazolidine 2,2-dioxide IUCrData 2(6) (2017) x170869 Space group: P 1 21 1 Cell volume: 1165.66 Cell parameters: 9.4093; 10.5822; 12.2844; 90; 107.64; 90; |
COD ID: 1546666 | |
CIF file | Formula: - C14 H9 Cl4 N3 O2 - Comments: Riad, Noura M.; Zlotos, Darius P.; Holzgrabe, Ulrike 3-(2-Chloropyridin-3-yl)quinazoline-2,4(1<i>H</i>,3<i>H</i>)-dione chloroform monosolvate IUCrData 2(4) (2017) x170580 Space group: P 1 21/c 1 Cell volume: 1585.6 Cell parameters: 5.6382; 13.622; 20.662; 90; 92.289; 90; |
COD ID: 1546667 | |
CIF file | Formula: - C18 H20 N2 O2 - Comments: Sebhaoui, Jihad; El Bakri, Youness; Rayni, Ibtissam; El Bourakadi, Khadija; Essassi, El Mokhtar; Mague, Joel T. (4<i>Z</i>)-4-(2-Oxopropylidene)-1,3-bis(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one IUCrData 2(4) (2017) x170493 Space group: P -1 Cell volume: 761.42 Cell parameters: 8.6864; 8.9925; 10.9872; 110.653; 95.111; 104.723; |
COD ID: 1546668 | |
CIF file | Formula: - C9 H12 Cl N - Comments: Bentivoglio, Gino; Laus, Gerhard; Kahlenberg, Volker; Röder, Thomas; Schottenberger, Herwig 1-Allyl-2-methylpyridinium chloride IUCrData 2(4) (2017) x170598 Space group: P -1 Cell volume: 456.5 Cell parameters: 6.9617; 7.5941; 9.464; 86.06; 82.118; 67.102; |
COD ID: 1546669 | |
CIF file | Formula: - C21 H21 N O - Comments: Louroubi, Abdelhadi; Outouch, Rachid; Ait Ali, Mustapha; Spannenberg, Anke; El Firdoussi, Larbi 1-(1-Benzyl-2,5-dimethyl-4-phenyl-1<i>H</i>-pyrrol-3-yl)ethanone IUCrData 2(6) (2017) x170895 Space group: P 1 21/c 1 Cell volume: 1626.16 Cell parameters: 10.721; 13.7039; 11.5761; 90; 107.032; 90; |
COD ID: 1546670 | |
CIF file | Formula: - C13 H12 N6 O2 - Comments: Sahbi, Azzeddine; Mague, Joel T.; Ben-Tama, Abdeslem; El Hadrami, El Mestafa; Gaamoussi, Issam; Ouzidan, Younes 4-[(1<i>H</i>-Imidazol-1-yl)methyl]-1-(4-nitrobenzyl)-1<i>H</i>-1,2,3-triazole IUCrData 2(4) (2017) x170515 Space group: P n a 21 Cell volume: 1308.85 Cell parameters: 20.333; 14.2764; 4.5089; 90; 90; 90; |
COD ID: 1546671 | |
CIF file | Formula: - C14 H12 Br N3 O - Comments: Bourichi, Selma; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; El Hadrami, El Mestafa; Essassi, El Mokhtar 6-Bromo-2-(4-methoxyphenyl)-3-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine IUCrData 2(7) (2017) x171071 Space group: P 1 21/c 1 Cell volume: 1306.75 Cell parameters: 14.8643; 7.6795; 12.069; 90; 108.465; 90; |
COD ID: 1546672 | |
CIF file | Formula: - C7 H8 N2 O2 - Comments: Rillema, D. Paul; KomReddy, Venugopal; Senaratne, Nilmini K.; Eichhorn, David M. Methyl 5-methylpyrazine-2-carboxylate IUCrData 2(7) (2017) x170997 Space group: P 1 21 1 Cell volume: 361.67 Cell parameters: 3.8872; 6.8386; 13.6279; 90; 93.303; 90; |
COD ID: 1546673 | |
CIF file | Formula: - C22 H14 Cl N O2 S - Comments: Bakhouch, Mohamed; El Yazidi, Mohamed; Al Houari, Ghali; Saadi, Mohamed; El Ammari, Lahcen 3'-(4-Chlorophenyl)-4'-phenyl-3<i>H</i>,4'<i>H</i>-spiro[benzo[<i>b</i>]thiophene-2,5'-isoxazol]-3-one IUCrData 2(5) (2017) x170677 Space group: P b c a Cell volume: 3690.64 Cell parameters: 9.2518; 10.3432; 38.5674; 90; 90; 90; |
COD ID: 1546674 | |
CIF file | Formula: - C22 H17 Cl N2 O2 - Comments: El Janati, Ali; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar 1,4-Dibenzyl-6-chloroquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione IUCrData 2(6) (2017) x170901 Space group: I 1 2/a 1 Cell volume: 7375.1 Cell parameters: 29.2234; 8.3076; 31.0407; 90; 101.859; 90; |
COD ID: 1546675 | |
CIF file | Formula: - C9 H8 Cl N3 O2 - Comments: Mohamed Abdelahi, Mohamed Mokhtar; Sebbar, Nada Kheira; Jasinski, Jerry P.; Kaur, Manpreet; Essassi, El Mokhtar; Benchidmi, Mohammed 3-Chloro-1-ethyl-6-nitro-1<i>H</i>-indazole IUCrData 2(7) (2017) x170972 Space group: P 1 21/c 1 Cell volume: 1009.19 Cell parameters: 7.4984; 16.2805; 8.3363; 90; 97.403; 90; |
COD ID: 1546676 | |
CIF file | Formula: - C36 H60 Si6 - Comments: Mizuhata, Yoshiyuki; Omatsu, Yamato; Tokitoh, Norihiro Dodecaallylhexasilacyclohexane IUCrData 2(6) (2017) x170807 Space group: P -1 Cell volume: 1005.91 Cell parameters: 9.6036; 10.806; 11.4686; 108.617; 100.558; 109.477; |
COD ID: 1546677 | |
CIF file | Formula: - C23 H25 F N4 O7 - Comments: Qachchachi, Fatima-Zahrae; Mague, Joel T.; Kandri Rodi, Youssef; Haoudi, Amal; El Hadrami, El Mestafa; Essassi, El Mokhtar 5-Fluoro-1-[(1-{[(1<i>S</i>,2<i>R</i>,6<i>R</i>,8<i>S</i>,9<i>R</i>)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-yl]methyl}-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-2,3-dihydro-1<i>H</i>-indole-2,3-dione IUCrData 2(5) (2017) x170739 Space group: P 1 21 1 Cell volume: 1154.93 Cell parameters: 11.1688; 9.0576; 11.9237; 90; 106.77; 90; |
COD ID: 1546678 | |
CIF file | Formula: - C10 H7 Br2 N O - Comments: Çelik, Ísmail; Ökten, Salih; Akkurt, Mehmet; Ersanlı, Cem Cüneyt; Çakmak, Osman; Özbakır, Rana 5,7-Dibromo-8-methoxyquinoline IUCrData 2(5) (2017) x170643 Space group: P 1 21/c 1 Cell volume: 1024.4 Cell parameters: 16.158; 3.996; 17.551; 90; 115.316; 90; |
COD ID: 1546679 | |
CIF file | Formula: - C18 H20 N2 O4 - Comments: Kaoukabi, Hanane; Taourirte, Moha; El Azhari, Mohamed; Lazrek, Hassan B.; Saadi, Mohamed; El Ammari, Lahcen 5-Acetyl-4-(2,5-dimethoxyphenyl)-6-methyl-1-(prop-2-ynyl)-3,4-dihydropyrimidin-2(1<i>H</i>)-one IUCrData 2(6) (2017) x170816 Space group: P -1 Cell volume: 837.5 Cell parameters: 8.5948; 10.1942; 10.2572; 74.93; 75.306; 89.866; |
COD ID: 1546680 | |
CIF file | Formula: - C19 H18 Cl N O S - Comments: Ellouz, Mohamed; Sebbar, Nada Kheira; Ouzidan, Younes; Kaur, Manpreet; Essassi, El Mokhtar; Jasinski, Jerry P. (<i>Z</i>)-4-<i>n</i>-Butyl-2-(4-chlorobenzylidene)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one IUCrData 2(6) (2017) x170870 Space group: P -1 Cell volume: 867.53 Cell parameters: 8.8898; 8.9885; 12.1973; 89.908; 84.49; 63.534; |
COD ID: 1546681 | |
CIF file | Formula: - C7 H5 Cl2 N O2 - Comments: Medjroubi, Mohamed Larbi; Boudjada, Ali; Hamdouni, Noudjoud; Jeannin, Olivier; Meinnel, Jean 2,6-Dichloro-4-nitrotoluene IUCrData 2(5) (2017) x170672 Space group: P 21 21 21 Cell volume: 830.6 Cell parameters: 3.8145; 12.4829; 17.4438; 90; 90; 90; |
COD ID: 1546682 | |
CIF file | Formula: - C19 H19 N O S - Comments: Sebbar, Nada Kheira; Ellouz, Mohamed; Ouzidan, Younes; Kaur, Manpreet; Essassi, El Mokhtar; Jasinski, Jerry P. (<i>Z</i>)-2-Benzylidene-3-<i>n</i>-butoxy-2<i>H</i>-1,4-benzothiazine IUCrData 2(6) (2017) x170890 Space group: P -1 Cell volume: 812.78 Cell parameters: 7.7711; 10.9897; 11.409; 112.013; 109.259; 98.12; |
COD ID: 1546683 | |
CIF file | Formula: - C9 H8 Cl N3 O2 - Comments: Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; Minnih, Mohamed Said; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T. 3-Chloro-2-ethyl-6-nitro-2<i>H</i>-indazole IUCrData 2(5) (2017) x170652 Space group: P 1 21/c 1 Cell volume: 941.67 Cell parameters: 11.2363; 7.4063; 12.1247; 90; 111.051; 90; |
COD ID: 1546684 | |
CIF file | Formula: - C20 H18 N4 O - Comments: Ghandour, Ismail; Mague, Joel T.; Bouayad, Abdelouahed; Chakroune, Said; Essassi, El Mokhtar; Kandri Rodi, Youssef 5-Methyl-4-(3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one IUCrData 2(6) (2017) x170853 Space group: P 1 21/c 1 Cell volume: 1655.4 Cell parameters: 18.2838; 7.7956; 11.8081; 90; 100.393; 90; |
COD ID: 1546685 | |
CIF file | Formula: - C11 H14 Cl N - Comments: Partl, Gabriel; Bentivoglio, Gino; Laus, Gerhard; Gelbrich, Thomas; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig 1-Allyl-2,3-cyclopentenopyridinium chloride IUCrData 2(5) (2017) x170669 Space group: P 1 21/n 1 Cell volume: 1086.08 Cell parameters: 8.1093; 9.1624; 14.6575; 90; 94.241; 90; |
COD ID: 1546686 | |
CIF file | Formula: - C17 H19 N3 O - Comments: Benyahya, Mohamed Ali; El Azzaoui, Brahim; Sebbar, Nada Kheira; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T. 5,6-Dimethyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(prop-2-en-1-yl)-1<i>H</i>-1,3-benzodiazole IUCrData 2(7) (2017) x170647 Space group: P 1 21/c 1 Cell volume: 1499.77 Cell parameters: 19.6067; 5.5438; 14.0069; 90; 99.911; 90; |
COD ID: 1546687 | |
CIF file | Formula: - C19 H12 Cl2 N2 O4 S3 - Comments: Watkins, Sydney M.; Hagen, Timothy J.; Perkins, Timothy S.; Zheng, Chong (<i>Z</i>)-4-Chloro-<i>N</i>-{3-[(4-chlorophenyl)sulfonyl]-2,3-dihydrobenzo[<i>d</i>]thiazol-2-ylidene}benzenesulfonamide IUCrData 2(6) (2017) x170865 Space group: P -1 Cell volume: 1018.5 Cell parameters: 7.133; 8.1155; 17.798; 87.747; 81.84; 87.849; |
COD ID: 1546688 | |
CIF file | Formula: - C6 H6 Br2 N2 - Comments: Krishna Murthy, P.; Sreenivasa Rao, R.; Suneetha, V.; Giri, L.; Suchetan, P. A. 3,5-Dibromo-6-methylpyridin-2-amine IUCrData 2(5) (2017) x170728 Space group: P 1 21/n 1 Cell volume: 801.54 Cell parameters: 13.1047; 4.031; 15.7631; 90; 105.72; 90; |
COD ID: 1546689 | |
CIF file | Formula: - C15 H11 N O - Comments: Sebhaoui, Jihad; El Bakri, Youness; Essassi, El Mokhtar; Mague, Joel T. (<i>E</i>)-<i>N</i>-[(Anthracen-9-yl)methylidene]hydroxylamine IUCrData 2(5) (2017) x170684 Space group: P 1 21/c 1 Cell volume: 1041.9 Cell parameters: 13.463; 3.8694; 20.377; 90; 101.023; 90; |
COD ID: 1546690 | |
CIF file | Formula: - C25 H36 N2 O - Comments: Rani, C. Vidya; Mitu, L.; Chakkaravarthi, G.; Rajagopal, G. 4,6-Di-<i>tert</i>-butyl-2-({[4-(diethylamino)phenyl]imino}methyl)phenol IUCrData 2(4) (2017) x170572 Space group: P 1 21 1 Cell volume: 1171.6 Cell parameters: 8.9303; 15.572; 9.4824; 90; 117.32; 90; |
COD ID: 1546691 | |
CIF file | Formula: - C7 N4 S3 - Comments: Tomura, Masaaki 2-Sulfanylidene-1,3-dithiolo[4,5-<i>b</i>]pyrazine-5,6-dicarbonitrile IUCrData 2(7) (2017) x171023 Space group: P 21 21 21 Cell volume: 912.6 Cell parameters: 6.1657; 7.0875; 20.883; 90; 90; 90; |
COD ID: 1546692 | |
CIF file | Formula: - C23 H26 N6 O2 - Comments: Morris, Patrick J.; Moore, Curtis; Thomas, Craig J. Apilimod IUCrData 2(5) (2017) x170693 Space group: P 1 21/c 1 Cell volume: 4318.2 Cell parameters: 14.9353; 15.0367; 19.4231; 90; 98.13; 90; |
COD ID: 1546693 | |
CIF file | Formula: - C27 H32 Br N O5 - Comments: Mohamed, Shaaban K.; Dege, Necmi; Akkurt, Mehmet; Allah, Omyma A. Abd; Albayati, Mustafa R. Ethyl 2-[9-(5-bromo-2-hydroxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetate IUCrData 2(4) (2017) x170573 Space group: P 1 21/n 1 Cell volume: 2611.4 Cell parameters: 10.1174; 19.0567; 14.0387; 90; 105.254; 90; |
COD ID: 1546694 | |
CIF file | Formula: - C72 H80 N6 O9 - Comments: Wrobel, Norma; Witulski, Bernhard; Schollmeyer, Dieter; Detert, Heiner 1,4,9,12-Tetramethoxy-14-octyl-5,8-dihydrodiindolo[3,2-<i>b</i>;2',3'-<i>h</i>]carbazole with an unknown solvent IUCrData 2(3) (2017) x170462 Space group: R -3 :H Cell volume: 14977.5 Cell parameters: 26.3932; 26.3932; 24.827; 90; 90; 120; |
COD ID: 1546695 | |
CIF file | Formula: - C18 H27 Cl2 N O - Comments: Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Taourirte, Moha; Oukhrib, Abdelouahd; Berraho, Moha <i>N</i>-[(1a<i>R</i>,5a<i>R</i>,8<i>R</i>,9a<i>R</i>)-1,1-Dichloro-1a,5,5,7-tetramethyl-1a,2,3,4,5,5a,8,9-octahydro-1<i>H</i>-benzo[<i>a</i>]cyclopropa[<i>b</i>][7]annulen-8-yl]acetamide IUCrData 2(4) (2017) x170492 Space group: P 61 Cell volume: 2881.92 Cell parameters: 10.5372; 10.5372; 29.971; 90; 90; 120; |
COD ID: 1546696 | |
CIF file | Formula: - C20 H22 N4 O3 - Comments: Sahbi, Azzeddine; Mague, Joel T.; Ben-Tama, Abdeslem; El Hadrami, El Mestafa; El Aroussi, Fatima; Ouzidan, Younes 4-{[5-Methyl-2-(propan-2-yl)phenoxy]methyl}-1-(4-nitrobenzyl)-1<i>H</i>-1,2,3-triazole IUCrData 2(4) (2017) x170516 Space group: P -1 Cell volume: 1876.83 Cell parameters: 9.4118; 10.8934; 18.6996; 101.629; 91.752; 90.351; |
COD ID: 1546697 | |
CIF file | Formula: - C37 H76 B N3 O Si4 - Comments: Oberparleiter, Stefan; Laus, Gerhard; Gelbrich, Thomas; Wurst, Klaus; Kunze-Liebhäuser, Julia; Schottenberger, Herwig Hexaethylguanidinium tetrakis(trimethylsilylethynyl)borate diethyl ether monosolvate IUCrData 2(5) (2017) x170724 Space group: P 1 21/n 1 Cell volume: 4966.9 Cell parameters: 12.9107; 17.872; 21.6094; 90; 95.0374; 90; |
COD ID: 1546698 | |
CIF file | Formula: - C11 H14 N2 O2 S2 - Comments: Nath, Paras; Bharty, Manoj K.; Butcher, Ray J.; Jasinski, Jerry P. <i>N</i>'-[Bis(methylsulfanyl)methylidene]-2-methoxybenzohydrazide IUCrData 2(4) (2017) x170489 Space group: P 1 21/n 1 Cell volume: 1262.91 Cell parameters: 7.7829; 7.4284; 21.9087; 90; 94.399; 90; |
COD ID: 1546699 | |
CIF file | Formula: - C14 H14 N2 O2 - Comments: El Bourakadi, Khadija; El Bakri, Youness; Sebhaoui, Jihad; Rayni, Ibtissam; Essassi, El Mokhtar; Mague, Joel T. 1-(Prop-2-en-1-yl)-3-[(prop-2-en-1-yl)oxy]quinoxalin-2(1<i>H</i>)-one IUCrData 2(5) (2017) x170656 Space group: P -1 Cell volume: 615.19 Cell parameters: 8.4015; 9.0041; 9.1465; 114.214; 101.275; 90.978; |
COD ID: 1546700 | |
CIF file | Formula: - C18 H12 O4 - Comments: Yang, Fan; Li, Yang; Zhou, Shu-Jing 5-Hydroxy-2-phenyl-7-(prop-2-yn-1-yloxy)-4<i>H</i>-chromen-4-one IUCrData 2(4) (2017) x170490 Space group: P 1 21/n 1 Cell volume: 1377.5 Cell parameters: 7.2074; 13.1851; 14.848; 90; 102.505; 90; |
COD ID: 1546701 | |
CIF file | Formula: - C16 H22 O4 - Comments: Raj, Radhakrishnan Mohan; Lekha, Logu; Viswanathan, Vijayan; Velmurugan, Devadasan; Easwaramoorthy, Deivanayagam 1,4-Bis[(oxan-2-yl)oxy]benzene IUCrData 2(5) (2017) x170717 Space group: P 1 21/n 1 Cell volume: 722 Cell parameters: 6.767; 6.817; 15.864; 90; 99.391; 90; |
COD ID: 1546702 | |
CIF file | Formula: - C26 H22 N4 O2 - Comments: Faizi, Md. Serajul Haque; Dege, Necmi; Goleva, Kateryna 2-{(<i>E</i>)-[(4-Anilinophenyl)imino]methyl}-4-[(<i>E</i>)-(4-methoxyphenyl)diazenyl]phenol IUCrData 2(4) (2017) x170548 Space group: C 1 c 1 Cell volume: 2056.5 Cell parameters: 47.514; 7.1015; 6.1289; 90; 96.037; 90; |
COD ID: 1546703 | |
CIF file | Formula: - C13 H18 O - Comments: Zhang, Lang-Jing; Kou, Jun-Feng; Liu, Feng-Yi 4-(2,4,6-Trimethylphenyl)butan-2-one IUCrData 2(5) (2017) x170675 Space group: P 21 21 21 Cell volume: 1172.3 Cell parameters: 4.8462; 7.8042; 30.996; 90; 90; 90; |
COD ID: 1546704 | |
CIF file | Formula: - C10 H9 N O2 - Comments: Perez, Matthew F.; Desikan, Vasumathi; Golen, James A.; Manke, David R. 5,7-Dimethyl-1<i>H</i>-indole-2,3-dione IUCrData 2(3) (2017) x170444 Space group: P -1 Cell volume: 1684.4 Cell parameters: 8.7148; 13.5652; 14.7832; 91.562; 96.341; 103.776; |
COD ID: 1546705 | |
CIF file | Formula: - C19 H16 O3 S - Comments: Olszowy, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz Biphenyl-4-yl 4-methylbenzenesulfonate IUCrData 2(7) (2017) x170982 Space group: P c a 21 Cell volume: 1528.42 Cell parameters: 33.2932; 7.9284; 5.7903; 90; 90; 90; |
COD ID: 1546706 | |
CIF file | Formula: - C15 H10 Br N3 O3 - Comments: Boulhaoua, Mohammed; Benchidmi, Mohammed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen 2-(3-Bromo-5-nitro-1<i>H</i>-indazol-1-yl)-1-phenylethanone IUCrData 2(4) (2017) x170559 Space group: P 1 21/c 1 Cell volume: 1481.5 Cell parameters: 13.269; 15.6721; 7.2136; 90; 99.029; 90; |
COD ID: 1546707 | |
CIF file | Formula: - C23 H21 N2 O0.5 - Comments: Loughzail, Mohamed; Adardour, Mohamed; Dahaoui, Slimane; Baouid, Abdesselam (<i>E</i>)-2-Phenyl-4-styryl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine hemihydrate IUCrData 2(7) (2017) x171070 Space group: I 1 2/a 1 Cell volume: 3549.8 Cell parameters: 22.1001; 6.7624; 24.5714; 90; 104.835; 90; |
COD ID: 1546708 | |
CIF file | Formula: - C23 H26 N4 O7 - Comments: Qachchachi, Fatima-Zahrae; Mague, Joel T.; Kandri Rodi, Youssef; Haoudi, Amal; Ben-Tama, Abdeslem; Essassi, El Mokhtar 1-[(1-{[(1<i>S</i>,2<i>R</i>,6<i>R</i>,8<i>R</i>,9<i>S</i>)-4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-yl]methyl}-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-2,3-dihydro-1<i>H</i>-indole-2,3-dione IUCrData 2(5) (2017) x170670 Space group: C 1 2 1 Cell volume: 2289.96 Cell parameters: 25.6622; 8.7731; 10.3928; 90; 101.847; 90; |
COD ID: 1546709 | |
CIF file | Formula: - C19 H13 Br Cl N3 - Comments: Bourichi, Selma; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar 4-Benzyl-6-bromo-2-(4-chlorophenyl)-4<i>H</i>-imidazo[4,5-<i>b</i>]pyridine IUCrData 2(6) (2017) x170899 Space group: P -1 Cell volume: 810.76 Cell parameters: 8.7749; 9.9403; 10.4475; 76.03; 66.511; 85.843; |
COD ID: 1546710 | |
CIF file | Formula: - C17 H14 N2 O3 - Comments: Essaghouani, Abdelhanine; Boulhaoua, Mohammed; El Hafi, Mohamed; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T. 2-(2-Oxo-4-phenyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepin-1-yl)acetic acid IUCrData 2(1) (2017) x170120 Space group: P 1 21/c 1 Cell volume: 2825.9 Cell parameters: 17.9752; 17.4403; 9.2472; 90; 102.892; 90; |
COD ID: 1546711 | |
CIF file | Formula: - C11 H9 F3 N2 O3 S - Comments: Abe, Ryosuke; Takase, Tsugiko; Oyama, Dai 2-(Pyridin-2-yl)pyridinium trifluoromethanesulfonate IUCrData 2(5) (2017) x170689 Space group: P b c a Cell volume: 2451.01 Cell parameters: 7.37174; 12.5726; 26.4454; 90; 90; 90; |
COD ID: 1546712 | |
CIF file | Formula: - C9 H6 Br N3 O3 - Comments: Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; Minnih, Mohamed Said; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T. 1-(3-Bromo-6-nitro-1<i>H</i>-indazol-1-yl)ethan-1-one IUCrData 2(5) (2017) x170660 Space group: P 1 21/n 1 Cell volume: 2008.41 Cell parameters: 13.9863; 7.8783; 18.5549; 90; 100.786; 90; |
COD ID: 1546713 | |
CIF file | Formula: - C18 H36 N2 P2 - Comments: Höhne, Martha; Spannenberg, Anke; Müller, Bernd H.; Rosenthal, Uwe 1,1'-(Diphosphene-1,2-diyl)bis(2,2,6,6-tetramethylpiperidine) IUCrData 2(6) (2017) x170903 Space group: P -1 Cell volume: 1997.74 Cell parameters: 11.3277; 12.3257; 15.5274; 112.59; 90.7806; 92.9221; |
COD ID: 1546714 | |
CIF file | Formula: - C10 H9 N S - Comments: Khan, Ezzat; Shahzad, Adnan; Tahir, M. Nawaz; Ateeq, Muhammad (2<i>E</i>)-3-Phenylprop-2-en-1-yl thiocyanate IUCrData 2(4) (2017) x170549 Space group: P 1 21/n 1 Cell volume: 942.33 Cell parameters: 6.0108; 7.9243; 19.8388; 90; 94.271; 90; |
COD ID: 1546715 | |
CIF file | Formula: - C18 H12 Cl N O S - Comments: Sebbar, Nada Kheira; Ellouz, Mohamed; Ouzidan, Younes; Kaur, Manpreet; Essassi, El Mokhtar; Jasinski, Jerry P. (<i>Z</i>)-2-(2-Chlorobenzylidene)-4-(prop-2-ynyl)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one IUCrData 2(6) (2017) x170889 Space group: P 1 21/c 1 Cell volume: 1575.36 Cell parameters: 13.3937; 8.9106; 13.394; 90; 99.765; 90; |
COD ID: 1546716 | |
CIF file | Formula: - C15 H16 O5 S - Comments: Olszowy, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz 3,5-Dimethoxyphenyl 4-methylbenzenesulfonate IUCrData 2(7) (2017) x170980 Space group: P -1 Cell volume: 725.58 Cell parameters: 7.8066; 8.9238; 11.9303; 106.583; 94.701; 111.358; |
COD ID: 1546717 | |
CIF file | Formula: - C28 H29 N5 O - Comments: Boukhssas, Salaheddine; Aouine, Younas; Faraj, Hassane; Alami, Anouar; El Hallaoui, Abdelilah; Zouihri, Hafid Dibenzyl({1-[(4-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methyl]-1<i>H</i>-1,2,3-triazol-4-yl}methyl)amine IUCrData 2(6) (2017) x170860 Space group: P 1 21/c 1 Cell volume: 2478.04 Cell parameters: 9.894; 10.1125; 24.8655; 90; 95.096; 90; |
COD ID: 1546718 | |
CIF file | Formula: - C15 H17 N O2 - Comments: Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Mazoir, Noureddine; Daran, Jean-Claude; Berraho, Moha 2-Isopropyl-4,7-dimethyl-1-nitronaphthalene IUCrData 2(4) (2017) x170584 Space group: P n m a Cell volume: 1305.47 Cell parameters: 15.6744; 6.9475; 11.988; 90; 90; 90; |
COD ID: 1546719 | |
CIF file | Formula: - C50 H70 Co N4 O2 - Comments: Rani, C.Vidya; Mitu, L.; Chakkaravarthi, G.; Rajagopal, G. Bis(4,6-di-tert-butyl-2-{N-[4-(diethylamino)phenyl]carboximidoyl}phenolato)cobalt(II) IUCrData 2(6) (2017) Space group: P -1 Cell volume: 2527.33 Cell parameters: 11.946; 13.218; 17.434; 109.348; 96.35; 98.881; |
COD ID: 1546720 | |
CIF file | Formula: - C13 H13 N O3 - Comments: Filali Baba, Yassir; Kandri Rodi, Youssef; Hayani, Sonia; Jasinski, Jerry P.; Kaur, Manpreet; Essassi, El Mokhtar Ethyl 1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxylate IUCrData 2(6) (2017) x170917 Space group: P n m a Cell volume: 1154.16 Cell parameters: 12.2269; 6.7034; 14.0817; 90; 90; 90; |
COD ID: 1546721 | |
CIF file | Formula: - C19 H18 N2 O4 - Comments: Ramli, Youssef; Akrad, Rachida; Guerrab, Walid; Taoufik, Jamal; Ansar, Mhamed; Mague, Joel T. Ethyl 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetate IUCrData 2(1) (2017) x170098 Space group: P -1 Cell volume: 831.87 Cell parameters: 8.5041; 8.6959; 12.5024; 71.002; 88.165; 72.572; |
COD ID: 1546722 | |
CIF file | Formula: - C14 H12 Cl N O2 - Comments: Manjunath, N. K.; Nabil Najib, A. A.; Nagendra, P.; Siddaraju, B. P; Swamy, M. T.; Byrappa, K.; Madan Kumar, S. 4-Chloro-2-nitro-1-(2-phenylethyl)benzene IUCrData 2(4) (2017) x170547 Space group: P 1 21/c 1 Cell volume: 1298.6 Cell parameters: 14.201; 7.3285; 12.974; 90; 105.89; 90; |
COD ID: 1546723 | |
CIF file | Formula: - C23 H27 N9 O2 - Comments: Sangeetha, Ramalingam; Balasubramani, Kasthuri; Thanigaimani, Kaliyaperumal; Razak, Ibrahim Abdul 6-Amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate‒3-amino-5,6-dimethyl-1,2,4-triazine (1/1) IUCrData 2(6) (2017) x170829 Space group: P -1 Cell volume: 1174.52 Cell parameters: 7.5018; 7.6661; 21.4332; 93.743; 94.776; 106.197; |
COD ID: 1546724 | |
CIF file | Formula: - C15 H9 Cl O3 - Comments: Zingales, Sarah; Padgett, Clifford 2-(4-Chlorophenyl)-3-hydroxy-4<i>H</i>-chromen-4-one IUCrData 2(7) (2017) x170996 Space group: P 1 21/n 1 Cell volume: 1203.2 Cell parameters: 13.267; 5.105; 18.866; 90; 109.67; 90; |
COD ID: 1546725 | |
CIF file | Formula: - C25 H24 N2 O6 - Comments: Gomathi, S.; Dravida Thendral, Era; Sivakumar, G.; Sabari, V.; Usha, G. Methyl (6<i>R</i>*,6a<i>R</i>*,12b<i>R</i>*)-2,4-dimethyl-6-(2-methylphenyl)-1,3-dioxo-2,3,4,6a,7,12b-hexahydro-1<i>H</i>,6<i>H</i>-chromeno[4',3':4,5]pyrano[2,3-<i>d</i>]pyrimidine-6a-carboxylate IUCrData 2(6) (2017) x170812 Space group: P 1 21/c 1 Cell volume: 2136.7 Cell parameters: 9.4087; 15.5422; 14.6143; 90; 91.077; 90; |
COD ID: 1546726 | |
CIF file | Formula: - C28 H25 N3 O3 S - Comments: Ahn, Seunghyun; Lim, Yoongho; Sung, Jiha; Koh, Dongsoo 3-(2-Hydroxy-4-methoxyphenyl)-<i>N</i>-(2-methoxyphenyl)-5-(naphthalen-1-yl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide IUCrData 2(5) (2017) x170732 Space group: P 1 21/c 1 Cell volume: 2354.3 Cell parameters: 6.8521; 23.1503; 15.0422; 90; 99.365; 90; |
COD ID: 1546727 | |
CIF file | Formula: - C46 H62 Co N4 O2 - Comments: Rani, C. Vidya; Mitu, L.; Chakkaravarthi, G.; Rajagopal, G. Bis{3,5-di-<i>tert</i>-butyl-<i>N</i>-[(4-dimethylamino)phenyl]salicylaldiminato}cobalt(II) IUCrData 2(4) (2017) x170525 Space group: P -1 Cell volume: 2417.01 Cell parameters: 11.5598; 13.3787; 17.3035; 111.756; 96.694; 98.293; |
COD ID: 1546728 | |
CIF file | Formula: - C9 H21 N O2 - Comments: Lutter, Michael; Gock, Vinusuya; Jurkschat, Klaus The amino alcohol MeN(CH~2~CMe~2~OH)~2~ IUCrData 2(6) (2017) x170799 Space group: P n a 21 Cell volume: 2240.4 Cell parameters: 14.152; 9.8983; 15.9939; 90; 90; 90; |
COD ID: 1546729 | |
CIF file | Formula: - C17 H29 N O3 - Comments: Benharref, Amed; Ait Elhad, Mustapha; Mazoir, Noureddine; Daran, Jean-Claude; Oukhrib, Abdelouahd; Berraho, Moha (1<i>R</i>,2<i>R</i>,7<i>S</i>,8<i>R</i>,9<i>R</i>)-<i>N</i>-(2-Hydroxy-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.0^1,7^]dodecan-8-yl)acetamide IUCrData 2(7) (2017) x170970 Space group: P 1 21 1 Cell volume: 1630.15 Cell parameters: 14.5077; 7.9149; 14.8297; 90; 106.803; 90; |
COD ID: 1546730 | |
CIF file | Formula: - C13 H9 F13 N2 S - Comments: Partl, Gabriel; Laus, Gerhard; Gelbrich, Thomas; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig 3-(1<i>H</i>,1<i>H</i>,2<i>H</i>,2<i>H</i>-Perfluorooctyl)-1-vinyl-4-imidazoline-2-thione IUCrData 2(5) (2017) x170648 Space group: P -1 Cell volume: 1781.4 Cell parameters: 7.425; 9.952; 24.359; 85.076; 83.431; 88.72; |
COD ID: 1546731 | |
CIF file | Formula: - C16 H32 Ag2 Cl2 S4 - Comments: Liebing, Phil Di-μ-chlorido-bis[bis(tetrahydrothiophene-κ<i>S</i>)silver(I)] IUCrData 2(6) (2017) x170921 Space group: P -1 Cell volume: 561.66 Cell parameters: 6.1921; 9.9443; 10.3761; 114.71; 102.121; 92.239; |
COD ID: 1546732 | |
CIF file | Formula: - C11 H19 N3 S - Comments: Fawzi, Mourad; Auhmani, Aziz; Ait Itto, Moulay Youssef; Riahi, Abdelkhalek; Chevreux, Sylviane; Ketatni, El Mostafa (2<i>E</i>)-<i>N</i>-Methyl-2-[1-(4-methylcyclohex-3-en-1-yl)ethylidene]hydrazinecarbothioamide IUCrData 2(4) (2017) x170513 Space group: P 21 21 21 Cell volume: 2514.86 Cell parameters: 12.2974; 13.7295; 14.8952; 90; 90; 90; |
COD ID: 1546739 | |
CIF file | Formula: - C6 H7 N3 O - Comments: Rillema, D. Paul; Senaratne, Nilmini K.; Moore, Curtis; KomReddy, Venugopal 5-Methylpyrazine-2-carboxamide IUCrData 2(7) (2017) x171090 Space group: P 1 21/n 1 Cell volume: 639 Cell parameters: 3.7592; 6.7317; 25.29; 90; 93.106; 90; |
COD ID: 1546740 | |
CIF file | Formula: - C10 H9 N3 O2 - Comments: Boulhaoua, Mohammed; Essaghouani, Abdelhanine; Lahmidi, Sanae; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T. 5-Nitro-1-(prop-2-en-1-yl)-1<i>H</i>-indazole IUCrData 2(7) (2017) x171091 Space group: P 21 21 21 Cell volume: 992.2 Cell parameters: 6.9549; 11.6778; 12.2165; 90; 90; 90; |
COD ID: 1546747 | |
CIF file | Formula: - C13 H9 B F3 N O - Comments: Dziuk, Błażej; Ośmiałowski, Borys; Zakrzewska, Anna; Ejsmont, Krzysztof; Zarychta, Bartosz 2,2-Difluoro-3-(4-fluorophenyl)-2<i>H</i>-benzo[<i>e</i>][1,3,2]oxazaborinin-3-ium-2-uide IUCrData 2(8) (2017) x171109 Space group: C 1 c 1 Cell volume: 1115.11 Cell parameters: 16.4374; 6.2657; 12.5689; 90; 120.523; 90; |
COD ID: 1546748 | |
CIF file | Formula: - C8 H12 N2 O4 - Comments: Umarani, P.; Thiruvalluvar, A.; Ramachandra Raja, C. 4-Methoxybenzylammonium nitrate IUCrData 2(8) (2017) x171114 Space group: P n m a Cell volume: 941.04 Cell parameters: 15.8203; 6.8156; 8.7275; 90; 90; 90; |
COD ID: 1546772 | |
CIF file | Formula: - C12 H13 O6 P - Comments: Li, Yunfei; Xiao, Yongmei; Zhang, Xinchi; Yang, Liangru; Yuan, Jinwei; Mao, Pu Dimethyl (7-hydroxy-4-methyl-2-oxo-2<i>H</i>-chromen-3-yl)phosphonate IUCrData 2(8) (2017) x171119 Space group: P 1 21/c 1 Cell volume: 1258.14 Cell parameters: 9.9684; 7.8695; 16.6927; 90; 106.097; 90; |
COD ID: 1546773 | |
CIF file | Formula: - C22 H23 F3 N O3 P - Comments: Jezuita, Anna; Cal, Dariusz; Zagórski, Piotr; Ejsmont, Krzysztof; Zarychta, Bartosz Diethyl (1-benzyl-4-phenyl-3-trifluoromethyl-1<i>H</i>-pyrrol-2-yl)phosphonate IUCrData 2(8) (2017) x171122 Space group: P 1 21/c 1 Cell volume: 2176.12 Cell parameters: 13.7056; 10.6494; 14.9163; 90; 91.744; 90; |
COD ID: 1546774 | |
CIF file | Formula: - C19 H17 B F2 N2 O - Comments: Dziuk, Błażej; Ośmiałowski, Borys; Skotnicka, Agnieszka; Ejsmont, Krzysztof; Zarychta, Bartosz 2-[4-(Dimethylamino)phenyl]-3,3-difluoro-3<i>H</i>-naphtho[1,2-<i>e</i>][1,3,2]oxazaborinin-2-ium-3-uide IUCrData 2(8) (2017) x171141 Space group: P 1 21/n 1 Cell volume: 1635.6 Cell parameters: 9.6529; 17.7072; 10.4833; 90; 114.106; 90; |
COD ID: 1546782 | |
CIF file | Formula: - C19 H20 N2 O5 - Comments: Karai, Oumaima; Aouine, Younas; Faraj, Hassane; Alami, Anouar; El Hallaoui, Abdelilah; Zouihri, Hafid Methyl (2<i>R</i>)-2-benzamido-2-{[(1<i>R</i>)-2-methoxy-2-oxo-1-phenylethyl]amino}acetate IUCrData 2(8) (2017) x171155 Space group: P 21 21 21 Cell volume: 1763.1 Cell parameters: 9.3432; 10.4314; 18.0901; 90; 90; 90; |
COD ID: 1546784 | |
CIF file | Formula: - C21 H17 N O2 - Comments: Bargavi, Srinivasan; Gouthaman, Siddan; Sugunnalakshmi, Madurai; Lakshmi, Srinivasakannan (<i>R</i>*)-1-Benzyl-3-(2-hydroxyphenyl)indoline-2-one IUCrData 2(8) (2017) x171164 Space group: P -1 Cell volume: 1639.62 Cell parameters: 11.1344; 12.0889; 12.4679; 89.171; 79.125; 84.202; |
COD ID: 1546791 | |
CIF file | Formula: - C55 H45 Ag N P3 S - Comments: Nimthong-Roldán, Arunpatcha; Sripa, Paramee; Romyen, Monpariya; Wattanakanjana, Yupa (Thiocyanato-κ<i>S</i>)tris(triphenylphosphane-κ<i>P</i>)silver(I) IUCrData 2(8) (2017) x171185 Space group: P 1 21/n 1 Cell volume: 4513.2 Cell parameters: 18.1884; 13.5886; 18.3224; 90; 94.711; 90; |
COD ID: 1546921 | |
CIF file | Formula: - C18 H21 Cl2 N O6 - Comments: Smith, Graham Ammonium hydrogen bis[(3-chloro-2-methylphenoxy)acetate] IUCrData 2(8) (2017) x171223 Space group: P -1 Cell volume: 466.21 Cell parameters: 4.7434; 6.8568; 15.0374; 100.88; 92.184; 103.053; |
COD ID: 1546922 | |
CIF file | Formula: - C8 H13 Cl N O0.5 - Comments: Aarthi, R.; Thiruvalluvar, A.; Ramachandra Raja, C. 4-Methylbenzylammonium chloride hemihydrate IUCrData 2(8) (2017) x171213 Space group: C 1 2/c 1 Cell volume: 1756.49 Cell parameters: 30.5325; 4.8966; 11.8973; 90; 99.067; 90; |
COD ID: 1546923 | |
CIF file | Formula: - C5 H6 N2 S - Comments: Lampl, Martin; Laus, Gerhard; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig 1-Vinyl-4-imidazoline-2-thione IUCrData 2(8) (2017) x171207 Space group: C 1 2/c 1 Cell volume: 1208.06 Cell parameters: 10.7775; 9.6848; 12.1792; 90; 108.139; 90; |
COD ID: 1546924 | |
CIF file | Formula: - C13 H9 N3 - Comments: Abe, Ryosuke; Takase, Tsugiko; Oyama, Dai 2-(Pyridin-2-yl)-1,8-naphthyridine IUCrData 2(8) (2017) x171221 Space group: P 1 21 1 Cell volume: 1472.74 Cell parameters: 6.1708; 16.9596; 14.2882; 90; 99.9699; 90; |
COD ID: 1548785 | |
CIF file | Formula: - C21 H17 F6 N2 O P - Comments: Xu, Hong-Kang; Kong, Lin; Li, Fei (<i>E</i>)-3-[4-(Benzo[<i>d</i>]oxazol-2-yl)styryl]-1-methylpyridin-1-ium hexafluoridophosphate IUCrData 2(12) (2017) x171735 Space group: P -1 Cell volume: 991.6 Cell parameters: 6.717; 8.155; 19.936; 85.032; 85.188; 65.893; |
COD ID: 1548786 | |
CIF file | Formula: - C12 H20 Cd Cu2 N8 - Comments: Nishikiori, Shin-ichi; Yoshida, Jun; Yuge, Hidetaka Poly[bis(trimethylammonium) [hexa-μ-cyanido-cadmium(II)dicopper(I)]] IUCrData 2(12) (2017) x171771 Space group: P a -3 Cell volume: 1896.3 Cell parameters: 12.3775; 12.3775; 12.3775; 90; 90; 90; |
COD ID: 1548787 | |
CIF file | Formula: - C16 H16 N2 O2 - Comments: Kaoukabi, Hanane; Taourirte, Moha; Lazrek, Hassan B.; El Azhari, Mohamed; Saadi, Mohamed; El Ammari, Lahcen 5-Acetyl-6-methyl-4-phenyl-1-(prop-2-ynyl)-3,4-dihydropyrimidin-2(1<i>H</i>)-one IUCrData 2(12) (2017) x171802 Space group: C 1 2/c 1 Cell volume: 2792.3 Cell parameters: 22.656; 12.2607; 10.2189; 90; 100.363; 90; |
COD ID: 1548788 | |
CIF file | Formula: - C15 H16 Br N O4 - Comments: Atalay, Şehriman; Aygün, Seda Nur; Meral, Seher; Ağar, Erbil (<i>E</i>)-4-Bromo-5-methoxy-2-{[(2-methoxyphenyl)imino]methyl}phenol monohydrate IUCrData 2(12) (2017) x171730 Space group: P -1 Cell volume: 756.8 Cell parameters: 6.922; 8.498; 14.064; 78.3; 85.51; 69.1; |
COD ID: 1548789 | |
CIF file | Formula: - C18 H15 N3 O2 S - Comments: Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Bakhite, Etify A.; Al-Taifi, Elham A. 5-Acetyl-3-amino-4-(4-methoxyphenyl)-6-methylthieno[2,3-<i>b</i>]pyridine-2-carbonitrile IUCrData 2(12) (2017) x171700 Space group: P -1 Cell volume: 1612.66 Cell parameters: 10.5214; 13.2896; 13.368; 107.331; 109.298; 99.272; |
COD ID: 1548790 | |
CIF file | Formula: - C13 H9 N O4 - Comments: El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M. Methyl 5-(1-benzofuran-2-yl)isoxazole-3-carboxylate IUCrData 2(12) (2017) x171820 Space group: P b c a Cell volume: 2241.4 Cell parameters: 11.517; 8.7431; 22.2595; 90; 90; 90; |
COD ID: 1548791 | |
CIF file | Formula: - C19 H14 Br F N2 O - Comments: Kalecik, Sedanur; Yavuz, Metin; Kavraz, Fatih; Eserci, Hande; Ağar, Erbil (<i>E</i>)-2-{[(4-Anilinophenyl)imino]methyl}-4-bromo-5-fluorophenol IUCrData 2(12) (2017) x171708 Space group: P b c a Cell volume: 3304.1 Cell parameters: 13.4521; 7.181; 34.204; 90; 90; 90; |
COD ID: 1548792 | |
CIF file | Formula: - C18 H18 N2 O2 - Comments: Guerrab, Walid; Mague, Joel T.; Akrad, Rachida; Ansar, Mhammed; Taoufik, Jamal; Ramli, Youssef 5,5-Diphenyl-3-propylimidazolidine-2,4-dione IUCrData 2(12) (2017) x171808 Space group: P -1 Cell volume: 1554.92 Cell parameters: 9.0951; 13.9582; 14.1083; 61.646; 80.859; 83.665; |
COD ID: 1548793 | |
CIF file | Formula: - C15 H11 Cl F3 N O2 - Comments: Atalay, Şehriman; Gerçeker, Semra; Meral, Seher; Bülbül, Hakan 2-{(<i>E</i>)-[(3-Chloro-4-methylphenyl)imino]methyl}-4-(trifluoromethoxy)phenol IUCrData 2(12) (2017) x171725 Space group: P -1 Cell volume: 728.56 Cell parameters: 4.5971; 6.4372; 25.237; 86.984; 86.173; 78.096; |
COD ID: 1548794 | |
CIF file | Formula: - C13 H14 N2 O2 S - Comments: Missioui, Mohcine; Mague, Joel T.; El Fal, Mohammed; Taoufik, Jamal; Essassi, El Mokhtar; Ramli, Youssef Ethyl 2-[(3-methylquinoxalin-2-yl)sulfanyl]acetate IUCrData 2(12) (2017) x171763 Space group: P -1 Cell volume: 640.5 Cell parameters: 4.8078; 7.7314; 17.8011; 93.412; 94.564; 103.05; |
COD ID: 1548795 | |
CIF file | Formula: - C23 H17 F3 N2 O3 - Comments: Xia, Ying; Wang, Haiyan; Yu, Jianhua; Wu, Zhichao (<i>E</i>)-3-[4-(Benzo[<i>d</i>]oxazol-2-yl)styryl]-1-methylpyridin-1-ium trifluoroacetate IUCrData 2(12) (2017) x171733 Space group: P 1 21/c 1 Cell volume: 2038.7 Cell parameters: 19.817; 8.4268; 12.4459; 90; 101.22; 90; |
COD ID: 1548796 | |
CIF file | Formula: - O2 Te - Comments: Weil, Matthias Redetermination of the γ-form of tellurium dioxide IUCrData 2(12) (2017) Space group: P 21 21 21 Cell volume: 181.609 Cell parameters: 4.8809; 8.5668; 4.3433; 90; 90; 90; |
COD ID: 1548797 | |
CIF file | Formula: - C9 H10 Cl3 N O2 - Comments: Suresh, S.; Pandi, P.; Kumar, R. Mohan; Chakkaravarthi, G. 4-Methylanilinium trichloroacetate IUCrData 2(12) (2017) x171767 Space group: P -1 Cell volume: 1191.69 Cell parameters: 6.7395; 11.3491; 16.1078; 75.681; 88.031; 86.856; |
COD ID: 1548798 | |
CIF file | Formula: - C22 H29 Br N4 Se2 - Comments: Rani, Varsha; Singh, Harkesh B.; Butcher, Ray J. 3,3'-[(2-Bromo-1,3-phenylene)bis(methylene)]bis(1-butyl-2,3-dihydro-1<i>H</i>-imidazole-2-selone) IUCrData 2(12) (2017) x171746 Space group: I 1 2/a 1 Cell volume: 4747.8 Cell parameters: 23.767; 5.1425; 39.806; 90; 102.61; 90; |
COD ID: 1548799 | |
CIF file | Formula: - C12 H13 N3 O - Comments: El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M. 1-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]ethanone IUCrData 2(12) (2017) x171782 Space group: P 1 21/c 1 Cell volume: 1132.89 Cell parameters: 5.7747; 6.5171; 30.234; 90; 95.342; 90; |
COD ID: 1548800 | |
CIF file | Formula: - C32 H28 N8 O - Comments: Abu El-Enin, Mohammed Abu Bakr; Abdel-Wahab, Bakr F.; Baashen, Mohammed; Ghabbour, Hazem A.; El-Hiti, Gamal A. (<i>E</i>)-1-[5-Methyl-1-(<i>p</i>-tolyl)-1<i>H</i>-1,2,3-triazol-4-yl]-3-{3-[5-methyl-1-(<i>p</i>-tolyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazol-4-yl}prop-2-en-1-one IUCrData 2(12) (2017) x171729 Space group: P -1 Cell volume: 1367.75 Cell parameters: 6.6115; 15.2036; 15.3021; 63.536; 83.76; 85.214; |
COD ID: 1548801 | |
CIF file | Formula: - C11 H9 N O - Comments: Green, Alexander R.; Owczarzak, Kendall K.; Thomas, Mallory; Olrogg, Garrett M.; Whitver, Ethan; Crescente, Joseph V.; Peters, Joshua; Doud, Cheyann M.; Storm, Mitchell M.; Fink, Kathryn D.; Bilotti, Caroline; Cardenas, Allan Jay Naphthalene-1-carbaldehyde oxime IUCrData 2(12) (2017) x171720 Space group: P 21 21 21 Cell volume: 1736.7 Cell parameters: 6.0506; 13.7423; 20.886; 90; 90; 90; |
COD ID: 1548802 | |
CIF file | Formula: - C18 H20 N2 O6 - Comments: Zhang, Huihui; Wang, Haiyan; Yu, Jianhua 1,4-Bis(4-methyl-2-nitrophenoxy)butane IUCrData 2(12) (2017) x171734 Space group: P 1 21/n 1 Cell volume: 909.4 Cell parameters: 4.7936; 12.9828; 14.632; 90; 92.986; 90; |
COD ID: 1548803 | |
CIF file | Formula: - C16 H21 N O - Comments: Jebapriya, J. Christina; Reuben Jonathan, D.; Prasana, Johanan Christian; Usha, G. (2<i>E</i>)-2-[4-(Dimethylamino)benzylidene]-5-methylcyclohexanone IUCrData 2(12) (2017) x171706 Space group: C 1 2/c 1 Cell volume: 2801 Cell parameters: 20.3655; 7.6148; 18.2999; 90; 99.254; 90; |
COD ID: 1548804 | |
CIF file | Formula: - C40 H28 N3 O10 P3 - Comments: Hou, Guohui; Zhang, Yumeng; Zhu, Jing; Xiong, Anxian; Wei, Hongliang; Chu, Huijuan 4,4',4'',4'''-({4'λ^5^,6λ^5^,6'λ^5^-Spiro[dibenzo[<i>d</i>,<i>f</i>][1,3,2]dioxaphosphepine-6,2'-[1,3,5,2,4,6]triazatriphosphinine]-4',4',6',6'-tetrayl}tetrakis(oxy))tetrabenzaldehyde IUCrData 2(12) (2017) x171712 Space group: C 1 2/c 1 Cell volume: 3716.6 Cell parameters: 32.3691; 10.7492; 13.1332; 90; 125.578; 90; |
COD ID: 1556848 | |
CIF file | Formula: - C16 H20 N2 O2 S - Comments: R, Shashi; Begum, Noor Shahina Ethyl 4-(2,5-dimethylphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate IUCrData 2(10) (2017) x171440 Space group: P 1 21/n 1 Cell volume: 3202 Cell parameters: 14.4124; 14.9172; 15.1412; 90; 100.377; 90; |
COD ID: 1559271 | |
CIF file | Formula: - C25 H29 Cl3 N4 Si Zr - Comments: Li, Wei; Bai, Shengdi; Su, Feng; Duan, Xine; Liu, Diansheng [<i>N</i>-(2-Anilinoethyl)-<i>N</i>'-(trimethylsilyl)benzenecarboximidamidato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''](benzonitrile-κ<i>N</i>)trichloridozirconium(IV) IUCrData 2(3) (2017) x170380 Space group: P n a 21 Cell volume: 5662 Cell parameters: 35.83; 14.292; 11.057; 90; 90; 90; |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!