Crystallography Open Database

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2237740 CIF
HKL
Paper
C14 H8 Cl6 O4 SP c a 2113.993; 9.189; 28.778
90; 90; 90
3700.3Lehmler, Hans-Joachim; He, Xianran; Duffel, Michael W.; Parkin, Sean
3,4',5-Trichlorobiphenyl-4-yl 2,2,2-trichloroethyl sulfate
Acta Crystallographica Section E, 2013, 69, o620
2237775 CIF
HKL
Paper
C22 H22 N4 O5P c a 2116.8124; 10.9545; 10.9331
90; 90; 90
2013.6Waris, Ghulam; Siddiqi, Humaira Masood; Flörke, Ulrich; Hussain, Rizwan; Butt, M. Saeed
<i>N</i>,<i>N</i>'-Bis(4-hydroxyphenyl)pyridine-2,6-dicarboxamide dimethylformamide monosolvate
Acta Crystallographica Section E, 2013, 69, o991
2237853 CIF
HKL
Paper
C20 H24 I Mn N2 O6P c a 2118.88; 5.8979; 20.916
90; 90; 90
2329Petrusenko, Svitlana R.; Stetsyuk, Oleg M.; Omelchenko, Irina V.
<i>catena</i>-Poly[[manganese(III)-bis{μ-2-[(2-hydroxyethyl)iminomethyl]-6-methoxyphenolato-κ^3^<i>O</i>^1^,<i>N</i>:<i>O</i>^2^;κ^3^<i>O</i>^2^:<i>N</i>,<i>O</i>^1^}] iodide]
Acta Crystallographica Section E, 2013, 69, m326-m327
2237891 CIF
HKL
Paper
C26 H22 N2 OP c a 2125.005; 5.5023; 14.79
90; 90; 90
2034.9Wen, Lei; Hu, Yimin
2-(4-Methylphenyl)-3-oxo-4-phenyl-2,3,3a,4,9,9a-hexahydro-1<i>H</i>-benzo[<i>f</i>]isoindole-6-carbonitrile
Acta Crystallographica Section E, 2013, 69, o652
2237990 CIF
HKL
Paper
C7 H7 N3P c a 2117.425; 4.5225; 8.6167
90; 90; 90
679Geiger, David K.; Parsons, Dylan E.
An orthorhombic polymorph of 3,4-diaminobenzonitrile
Acta Crystallographica Section E, 2013, 69, o658
2238189 CIF
HKL
Paper
C4 H9 Cd N O6P c a 2114.66; 5.4905; 9.7928
90; 90; 90
788.23Pan, Gang-Hong; Tang, Jin-Niu; Huang, Zhong-Jing; Liao, Yi-Fan; Mo, Bo-Fa
<i>catena</i>-Poly[(diaquacadmium)-μ-iminodiacetato-κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>'']
Acta Crystallographica Section E, 2013, 69, m416
2238204 CIF
HKL
Paper
C13 H9 N3 O3P c a 2120.0988; 4.2645; 28.669
90; 90; 90
2457.3Kandri Rodi, Youssef; Misbahi, Khalid; El-Ghayoury, Abdelkrim; Zorina, Leokadiya; Essassi, El Mokhtar; El Ammari, Lahcen
5-Nitro-1,3-bis(prop-2-ynyl)-1<i>H</i>-1,3-benzimidazol-2(3<i>H</i>)-one
Acta Crystallographica Section E, 2013, 69, o1159
2238259 CIF
HKL
Paper
C18 H14 N2 O2P c a 2115.965; 5.807; 30.185
90; 90; 90
2798Bougueria, Hassiba; Benosmane, Ali; Benaouida, Mohamed Amine; Bouchoul, Abd El Kader; Bouaoud, Salah Eddine
1-(3-Acetylphenyl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium
Acta Crystallographica Section E, 2013, 69, o1052
2238319 CIF
HKL
Paper
C22 H23 Cl2 N O2P c a 2118.4336; 9.4516; 11.7077
90; 90; 90
2039.8Sugumar, P.; Kayalvizhi, R.; Mini, R.; Ponnuswamy, S.; Ponnuswamy, M. N.
1-Dichloroacetyl-<i>t</i>-3-isopropyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one
Acta Crystallographica Section E, 2013, 69, o1348
2238338 CIF
HKL
Paper
C9 H9 N3 O2P c a 2110.0768; 12.0387; 7.7047
90; 90; 90
934.67Kalkhambkar, Rajesh G.; Kumar, Mahesh; Gayathri, D.; Oh, Jeongsu; Jeong, Yeon Tae
(<i>Z</i>)-Ethyl 2-cyano-3-(1<i>H</i>-imidazol-2-yl)acrylate
Acta Crystallographica Section E, 2013, 69, o1223
2238373 CIF
HKL
Paper
C22 H17 F3 N2 O SP c a 2120.0318; 10.2866; 9.5351
90; 90; 90
1964.79Yusof, Mohd Sukeri Mohd; Razali, Nur Rafikah; Arshad, Suhana; Rahman, Azhar Abdul; Razak, Ibrahim Abdul
2,2-Diphenyl-<i>N</i>-{[2-(trifluoromethyl)phenyl]carbamothioyl}acetamide
Acta Crystallographica Section E, 2013, 69, o1255-o1256
2238459 CIF
HKL
Paper
C6 H21 I N2 O2 P2P c a 2117.7791; 11.1766; 6.91805
90; 90; 90
1374.68Reiss, Guido J.
(Dimethylphosphoryl)methanaminium iodide–(dimethylphosphoryl)methanamine (1/1)
Acta Crystallographica Section E, 2013, 69, o1253-o1254
2238591 CIF
HKL
Paper
C9 H13 N O2 SP c a 2111.732; 8.6513; 9.879
90; 90; 90
1002.7Hsu, Gene C.; Singer, Laci M.; Cordes, David B.; Findlater, Michael
<i>tert</i>-Butyl <i>N</i>-(thiophen-2-yl)carbamate
Acta Crystallographica Section E, 2013, 69, o1413
2238801 CIF
Paper
C20 H15 NP c a 219.0532; 16.8067; 19.2508
90; 90; 90
2929.1Wang, Wan-Qiang
4-Ethynyl-<i>N</i>,<i>N</i>-diphenylaniline
Acta Crystallographica Section E, 2013, 69, o1722
2238997 CIF
HKL
Paper
C23 H17 F N2 O3P c a 2119.9622; 8.0484; 22.8969
90; 90; 90
3678.7Mague, Joel T.; Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.
3-[2-(4-Fluorophenyl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione
Acta Crystallographica Section E, 2014, 70, o226-o227
2239016 CIF
HKL
K Nb1.77 P S10 Ta0.23P c a 2113.0049; 7.5262; 13.3616
90; 90; 90
1307.8Lee, Yoonjeong; Yoon, Woojin; Yun, Hoseop
The mixed-metal tris(disulfide) thiophosphate, KNb~1.77~Ta~0.23~PS~10~
Acta Crystallographica Section E, 2014, 70, i8
2239038 CIF
HKL
C4 H7 N3 O4 SeP c a 217.0051; 8.6342; 12.7131
90; 90; 90
768.93Takouachet, Radhwane; Benali-Cherif, Rim; Benali-Cherif, Nourredine
Cytosinium hydrogen selenite
Acta Crystallographica Section E, 2014, 70, o186-o187
2239147 CIF
HKL
Paper
C15 H10 Cl N3 O2P c a 2131.0359; 5.2549; 7.873
90; 90; 90
1284.01Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Jaber, Abdel-Aal M.; Albayati, Mustafa R.
4-Chloro-<i>N</i>'-[(3<i>Z</i>)-2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene]benzohydrazide
Acta Crystallographica Section E, 2014, 70, o47
2239240 CIF
HKL
Paper
C28 H22 N2 O8 SP c a 218.3976; 13.7584; 21.7971
90; 90; 90
2518.4Narayanan, P.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.
2-(4,5-Dimethoxy-2-nitrophenyl)-4-methoxy-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carbaldehyde
Acta Crystallographica Section E, 2014, 70, o424-o425
2239254 CIF
HKL
Paper
C20 H15 N O2P c a 2119.144; 8.9363; 9.1111
90; 90; 90
1558.7Moreno-Fuquen, Rodolfo; Castillo, Juan C.; Abonia, Rodrigo; Ellena, Javier; Tenorio, Juan C.
3-(Diphenylamino)isobenzofuran-1(3<i>H</i>)-one
Acta Crystallographica Section E, 2014, 70, o490
2239411 CIF
HKL
Paper
C28 H24 N2 O7 SP c a 218.4543; 13.6605; 21.6359
90; 90; 90
2498.73Narayanan, P.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.
2-(4,5-Dimethoxy-2-nitrophenyl)-4-methoxy-3-methyl-9-phenylsulfonyl-9<i>H</i>-carbazole
Acta Crystallographica Section E, 2014, 70, o336-o337
2239421 CIF
HKL
Paper
C16 H14 O7P c a 2116.494; 13.082; 6.6008
90; 90; 90
1424.3Knight, Kyle S.; Smith, Cole T.; Waddell, Thomas G.; Noll, Bruce
Santal monohydrate, an isoflavone isolated from <i>Wyethia mollis</i>
Acta Crystallographica Section E, 2014, 70, o267
2239627 CIF
HKL
C8 H11 N O2 SP c a 2115.764; 5.136; 11.028
90; 90; 90
892.9Sun, Xian-Shun; Shao, Nan-Qi; Li, Dan-Dan
5-[(2-Hydroxyethyl)(methyl)amino]thiophene-2-carbaldehyde
Acta Crystallographica Section E, 2014, 70, o724
2239759 CIF
HKL
Paper
C13 H10 F N OP c a 2111.0153; 9.8596; 9.5476
90; 90; 90
1036.93Jothi, L.; Anuradha, G.; Vasuki, G.; Babu, R. Ramesh; Ramamurthi, K.
4-Fluoro-<i>N</i>-(4-hydroxybenzylidene)aniline
Acta Crystallographica Section E, 2014, 70, o860
2239766 CIF
HKL
Paper
C13 H10 Br N OP c a 2112.353; 4.5092; 19.778
90; 90; 90
1101.7Yan, Xu-Xiu; Lu, Li-Ping; Zhu, Miao-Li
4-Bromo-2-[(phenylimino)methyl]phenol
Acta Crystallographica Section E, 2014, 70, o853
2239786 CIF
HKL
Paper
C7 H7 B F3 K OP c a 217.1347; 17.2819; 7.3289
90; 90; 90
903.66Harrison, William T. A.; Wardell, James L.
Crystal structures of potassium trifluorido(4-methoxyphenyl)borate and potassium trifluorido(4-fluorophenyl)borate
Acta Crystallographica Section E, 2014, 70, 68-71
2240032 CIF
HKL
C13 H17 N3 O3P c a 218.7135; 10.5321; 14.3907
90; 90; 90
1320.66Ahmad Wani, Naiem; Gupta, Vivek K.; Kant, Rajni; Aravinda, Subrayashastry; Rai, Rajkishor
Conformation and crystal structures of 1-aminocyclohexaneacetic acid (β^3,3^Ac~6~c) in N-protected derivatives
Acta Crystallographica Section E, 2014, 70, 272-277
2240058 CIF
HKL
Paper
C19 H18 N2 O3P c a 219.9238; 7.3322; 23.028
90; 90; 90
1675.6Govindaraj, J.; Raja, R.; Suresh, M.; Raghunathan, R.; SubbiahPandi, A.
Crystal structures of methyl 3-phenyl-4,5-dihydro-1<i>H</i>,3<i>H</i>-benzo[4,5]imidazo[2,1-<i>c</i>][1,4]oxazepine-4-carboxylate and methyl 1-methyl-3-phenyl-4,5-dihydro-1<i>H</i>,3<i>H</i>-benzo[4,5]imidazo[2,1-<i>c</i>][1,4]oxazepine-4-carboxylate
Acta Crystallographica Section E, 2014, 70, 316-318
2240162 CIF
HKL
Paper
C14 H7 Br O4P c a 2118.977; 3.7811; 15.5047
90; 90; 90
1112.5Furukawa, Wataru; Takehara, Munenori; Inoue, Yoshinori; Kitamura, Chitoshi
Crystal structure of 2-bromo-1,4-dihydroxy-9,10-anthraquinone
Acta Crystallographica Section E, 2014, 70, o1130
2240202 CIF
HKL
Ca Cl2 H12 O14P c a 2110.9603; 7.9667; 26.7735
90; 90; 90
2337.8Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang
Crystal structures of Ca(ClO~4~)~2~·4H~2~O and Ca(ClO~4~)~2~·6H~2~O
Acta Crystallographica Section E, 2014, 70, 489-493
2240269 CIF
HKL
C16 H16 O2 SP c a 2117.8579; 8.1257; 9.8317
90; 90; 90
1426.66Zukerman-Schpector, Julio; Olivato, Paulo R.; Traesel, Henrique J.; Valença, Jéssica; Rodrigues, Daniel N. S.; Tiekink, Edward R. T.
Crystal structure of 2-methoxy-2-[(4-methylphenyl)sulfanyl]-1-phenylethan-1-one
Acta Crystallographica Section E, 2015, 71, o3-o4
2240270 CIF
HKL
Paper
C20 H22 N2 O4P c a 2113.092; 19.198; 15.827
90; 90; 90
3978Ravi Kiran, Bhaskarachar; Suchetan, Parameshwar Adimule; Amar, Hosamani; Vijayakumar, Giriyapura R.
Crystal structure of 5,5-bis(4-methylbenzyl)pyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione monohydrate
Acta Crystallographica Section E, 2015, 71, 19-21
2240467 CIF
HKL
Paper
C17 H12 OP c a 2116.4163; 15.8838; 13.5669
90; 90; 90
3537.6Morales-Espinoza, Eric G.; Rivera, Ernesto; Reyes-Martínez, Reyna; Hernández-Ortega, Simón; Morales-Morales, David
Crystal structure of 1-methoxypyrene
Acta Crystallographica Section E, 2015, 71, o210-o211
2240633 CIF
HKL
Paper
C13 H14 Cl N O3P c a 2127.1156; 7.1401; 13.0804
90; 90; 90
2532.47Chandrika, Nanjappa; Suresha Kumara, Tholappanavara H.; Jasinski, Jerry P.; Millikan, Sean P.; Yathirajan, Hemmige S.; Glidewell, Christopher
Crystal structure of 2-chloro-3-(dimethoxymethyl)-6-methoxyquinoline
Acta Crystallographica Section E, 2015, 71, o364-o365
2240642 CIF
HKL
C18 H19 IP c a 2132.5385; 6.10513; 15.8615
90; 90; 90
3150.92Chen, Zhiwei; Moxey, Graeme J.
Crystal structure of (<i>E</i>)-1-(4-<i>tert</i>-butylphenyl)-2-(4-iodophenyl)ethene
Acta Crystallographica Section E, 2015, 71, o309-o310
2240705 CIF
HKL
Paper
C6 H6 N4 SP c a 2126.252; 4.367; 12.523
90; 90; 90
1435.7Mohamed, Shaaban K.; Akkurt, Mehmet; Singh, Kuldip; Hussein, Bahgat R. M.; Albayati, Mustafa R.
Crystal structure of 4,6-diamino-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile
Acta Crystallographica Section E, 2014, 70, o993-o994
2240879 CIF
HKL
Paper
C23 H25 N3P c a 2119.003; 7.924; 13.056
90; 90; 90
1966Han, Hongfei; Guo, Zhiqiang; Wei, Xuehong
Crystal structure of 1,2-bis(2,6-dimethylphenyl)-3-phenylguanidine
Acta Crystallographica Section E, 2015, 71, o506-o507
2240908 CIF
HKL
C10 H4 Cl2 O3P c a 2123.091; 3.7704; 10.729
90; 90; 90
934.1Ishikawa, Yoshinobu
Crystal structure of 7,8-dichloro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde
Acta Crystallographica Section E, 2015, 71, 902-905
2241010 CIF
HKL
C16 H16 O3 SP c a 2118.769; 7.643; 10.0578
90; 90; 90
1442.8Caracelli, Ignez; Olivato, Paulo R.; Traesel, Henrique J.; Valença, Jéssica; Rodrigues, Daniel N. S.; Tiekink, Edward R. T.
Crystal structure of 2-methoxy-2-[(4-methoxyphenyl)sulfanyl]-1-phenylethanone
Acta Crystallographica Section E, 2015, 71, o657-o658
2241025 CIF
HKL
Paper
C21 H14 O6P c a 2123.1735; 7.248; 20.332
90; 90; 90
3415Decato, Daniel A.; Berryman, Orion B.
Crystal structure of [1,1':3',1''-terphenyl]-2',3,3''-tricarboxylic acid
Acta Crystallographica Section E, 2015, 71, o667-o668
2241079 CIF
HKL
Paper
C17 H19 Cl N4 O5P c a 2114.053; 13.438; 9.733
90; 90; 90
1838Bouayad, Kaoutar; Kandri Rodi, Youssef; Ouzidan, Youness; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen
Crystal structure of 5-chloro-1,3-bis[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one
Acta Crystallographica Section E, 2015, 71, o735-o736
2241179 CIF
HKL
C13 H17 N O2P c a 2123.933; 6.3317; 8.0269
90; 90; 90
1216.4Revathi, B. K.; Reuben Jonathan, D.; Kalai Sevi, K.; Dhanalakshmi, K.; Usha, G.
Crystal structure of (4-hydroxypiperidin-1-yl)(4-methylphenyl)methanone
Acta Crystallographica Section E, 2015, 71, o817-o818
2241264 CIF
HKL
C12 H14 Cl N O1.75P c a 2124.312; 6.1628; 7.9654
90; 90; 90
1193.5Revathi, B. K.; Reuben Jonathan, D.; Kalai Sevi, K.; Dhanalakshmi, K.; Usha, G.
Crystal structure of the adduct (4-chlorophenyl)(4-hydroxypiperidin-1-yl)methanone–(4-chlorophenyl)(piperidin-1-yl)methanone (0.75/0.25)
Acta Crystallographica Section E, 2015, 71, o896-o897
2241382 CIF
HKL
C11 H11 I3 N2 SnP c a 2123.5604; 7.0367; 9.5792
90; 90; 90
1588.11Reuter, Hans; Reichelt, Martin
Crystal structure of the coordination compound of triiodidomethyltin(IV) with 2,2'-bipyridine, MeSnI~3~·bipy
Acta Crystallographica Section E, 2016, 72, 17-20
2241585 CIF
Paper
C14 H12 OP c a 2111.6193; 7.68; 11.3584
90; 90; 90
1013.58Harrison, William T. A.; Plater, M. John; Yin, Lee J.
Investigations of new potential photo-acid generators: crystal structures of 2-[(<i>E</i>)-2-phenylethenyl]phenol (orthorhombic polymorph) and (2<i>E</i>)-3-(2-bromophenyl)-2-phenylprop-2-enoic acid
Acta Crystallographica Section E, 2016, 72, 407-411
2241652 CIF
Paper
C22 H29 N O2P c a 219.2049; 25.4468; 8.2451
90; 90; 90
1931.3Tewes, Bastian; Frehland, Bastian; Fröhlich, Roland; Wünsch, Bernhard
Novel GluN2B selective NMDA receptor antagonists: relative configuration of 7-methoxy-2-methyl-2,3,4,5-tetrahydro-1<i>H</i>-3-benzazepin-1-ols
Acta Crystallographica Section E, 2016, 72, 687-691
2241821 CIF
HKL
Paper
C18 H15 N3 O4 SP c a 2123.84; 9.7401; 7.1403
90; 90; 90
1658Sukhonosova, Elena V.; Sokov, Sergey A.; Ostapenko, Gennady I.; Bunev, Alexander S.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.
Crystal structures of ethyl {2-[4-(4-isopropylphenyl)thiazol-2-yl]phenyl}carbamate and ethyl {2-[4-(3-nitrophenyl)thiazol-2-yl]phenyl}carbamate
Acta Crystallographica Section E, 2016, 72, 1321-1325
2241865 CIF
HKL
C9 H31 Cl O3 Sn3P c a 2112.623; 8.2675; 18.421
90; 90; 90
1922.4Otte, Felix; Koller, Stephan G.; Golz, Christopher; Strohmann, Carsten
Crystal structures of diaquadi-μ-hydroxido-tris[trimethyltin(IV)] diformatotrimethylstannate(IV) and di-μ-hydroxido-tris[trimethyltin(IV)] chloride monohydrate
Acta Crystallographica Section E, 2016, 72, 1499-1502
2241956 CIF
HKL
C7 H13 N3 O3 SP c a 218.3367; 10.7752; 24.1016
90; 90; 90
2165.04Kwon, Eunjin; Park, Ki-Min; Park, Hyunjin; Kim, Tae Ho
Crystal structure of oxamyl
Acta Crystallographica Section E, 2016, 72, 1816-1818
2242041 CIF
HKL
Paper
C34 H42 Br1.52 Cl0.48 Hg N4P c a 2122.8887; 13.883; 21.1396
90; 90; 90
6717.4Rani, Varsha; Singh, Harkesh B.; Butcher, Ray J.
Structure of the mercury(II) mixed-halide (Br/Cl) complex of 2,2'-(5-<i>tert</i>-butyl-1,3-phenylene)bis(1-pentyl-1<i>H</i>-benzo[<i>d</i>]imidazole)
Acta Crystallographica Section E, 2017, 73, 423-428

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