Crystallography Open Database

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2240649 CIF
HKL
Ge O3 SrP m -3 m3.7978; 3.7978; 3.7978
90; 90; 90
54.777Nakatsuka, Akihiko; Arima, Hiroshi; Ohtaka, Osamu; Fujiwara, Keiko; Yoshiasa, Akira
Crystal structure of SrGeO~3~ in the high-pressure perovskite-type phase
Acta Crystallographica Section E, 2015, 71, 502-504
2240887 CIF
HKL
Mo O4 ZnP 1 2/c 14.698; 5.738; 4.896
90; 90.311; 90
131.98Mtioui-Sghaier, Olfa; Mendoza-Meroño, Rafael; Ktari, Lilia; Dammak, Mohamed; García-Granda, Santiago
Redetermination of the crystal structure of β-zinc molybdate from single-crystal X-ray diffraction data
Acta Crystallographica Section E, 2015, 71, i6-i7
2241204 CIF
HKL
N O PI -4 2 d4.6135; 4.6135; 6.9991
90; 90; 90
148.972Bykov, Maxim; Bykova, Elena; Dyadkin, Vadim; Baumann, Dominik; Schnick, Wolfgang; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Crystal structures of cristobalite-type and coesite-type PON redetermined on the basis of single-crystal X-ray diffraction data
Acta Crystallographica Section E, 2015, 71, 1325-1327
2240885 CIF
HKL
H10 Mg O10 P2P -15.1486; 6.595; 7.096
112.31; 98.55; 98.28
215.08Gjikaj, Mimoza; Haase, Madeline
Crystal structure of <i>catena</i>-poly[[tetraaquamagnesium]-μ-(dihydrogen hypodiphosphato)-κ^2^<i>O</i>:<i>O</i>']
Acta Crystallographica Section E, 2015, 71, 867-869
2241059 CIF
HKL
Ca Ir O3C m c m3.1466; 9.869; 7.3019
90; 90; 90
226.75Nakatsuka, Akihiko; Sugiyama, Kazumasa; Yoneda, Akira; Fujiwara, Keiko; Yoshiasa, Akira
Crystal structure of post-perovskite-type CaIrO~3~ reinvestigated: new insights into atomic thermal vibration behaviors
Acta Crystallographica Section E, 2015, 71, 1109-1113
2240611 CIF
HKL
C5 H8 O2P -16.7336; 6.7821; 7.2349
67.743; 75.518; 64.401
274.29Peppel, Tim; Sonneck, Marcel; Spannenberg, Anke; Wohlrab, Sebastian
Crystal structure of (<i>E</i>)-pent-2-enoic acid
Acta Crystallographica Section E, 2015, 71, o316
2240652 CIF
HKL
C6 H10 O2P -16.8556; 6.9894; 7.4967
79.477; 80.62; 63.654
315.12Peppel, Tim; Sonneck, Marcel; Spannenberg, Anke; Wohlrab, Sebastian
Crystal structure of (<i>E</i>)-hex-2-enoic acid
Acta Crystallographica Section E, 2015, 71, o323
2240439 CIF
HKL
C2 Ca Co0.17 Mg0.83 O6R -34.8158; 4.8158; 16.0488
90; 90; 120
322.337Perchiazzi, Natale
Crystal structure study of a cobaltoan dolomite from Kolwezi, Democratic Republic of Congo
Acta Crystallographica Section E, 2015, 71, i3
2241123 CIF
Paper
C9 H6 O2P -13.863; 8.3; 11.749
101.44; 93.8; 99.83
361.84Venturini, Chiara; Ratel-Ramond, Nicolas; Gourdon, Andre
Crystal structure of 3-ethynylbenzoic acid
Acta Crystallographica Section E, 2015, 71, o750-o751
2241090 CIF
HKL
Paper
C6 H12 O6P -15.43124; 7.2727; 10.1342
69.12; 83.907; 78.381
366.09Ishii, Tomohiko; Senoo, Tatsuya; Yoshihara, Akihide; Fukada, Kazuhiro; Sakane, Genta
Crystal structure of β-<small>D</small>,<small>L</small>-fructose
Acta Crystallographica Section E, 2015, 71, o719-o720
2240394 CIF
Paper
C5 H9 N3 SP -15.8665; 8.0313; 9.0795
104.141; 101.04; 106.351
382.16Arfan, Atef; Rukiah, Mwaffak
Crystal structures of crotonaldehyde semicarbazone and crotonaldehyde thiosemicarbazone from X-ray powder diffraction data
Acta Crystallographica Section E, 2015, 71, 168-172
2240468 CIF
HKL
Paper
Ge11.87 Ni18.06P -6 2 c6.6585; 6.6585; 9.962
90; 90; 120
382.5Kars, Mohammed; Herrero, Adrian Gómez; Roisnel, Thierry; Rebbah, Allaoua; Otero-Diáz, L. Carlos
Structure cristalline du composé intermétallique Ni~18~Ge~12~
Acta Crystallographica Section E, 2015, 71, 318-320
2241132 CIF
HKL
Paper
Cd H2 O5 SP 1 21/c 17.6195; 7.4517; 8.1457
90; 122.244; 90
391.17Theppitak, Chatphorn; Chainok, Kittipong
Crystal structure of CdSO~4~(H~2~O): a redetermination
Acta Crystallographica Section E, 2015, 71, i8-i9
2240851 CIF
HKL
C10 H8 O3P -16.756; 7.988; 7.991
94.48; 108.27; 103.31
393.2Ishikawa, Yoshinobu
Crystal structure of 3-(hydroxymethyl)chromone
Acta Crystallographica Section E, 2015, 71, o495
2241114 CIF
HKL
Paper
C5 H17 B N2P -16.0464; 7.6987; 9.5896
69.602; 76.519; 74.912
398.94Louven, Kathrin; Quentin, Georgina; Strohmann, Carsten
Crystal structure of borated <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethyldiaminomethane
Acta Crystallographica Section E, 2015, 71, o743-o744
2240629 CIF
HKL
Paper
C10 H20 N2 O12P -15.6519; 7.5809; 10.31
75.467; 88.12; 69.487
399.76Diallo, Waly; Gueye, Ndongo; Crochet, Aurélien; Plasseraud, Laurent; Cattey, Hélène
Crystal structure of dimethylammonium hydrogen oxalate hemi(oxalic acid)
Acta Crystallographica Section E, 2015, 71, 473-475
2241358 CIF
HKL
Paper
C12 H20 N2 Ni O12P -16.262; 7.1053; 10.7101
102.461; 96.754; 114.823
410.49Pérez-Aguirre, Rubén; Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Gutiérrez-Zorrilla, Juan Manuel; Luque, Antonio
The crystal structure of a new polymorph of hexaaquanickel(II) bis(6-oxo-1,6-dihydropyridine-3-carboxylate)
Acta Crystallographica Section E, 2015, 71, m238-m239
2241300 CIF
HKL
Paper
Fe H4 N2 O4 PP c c n6.3114; 7.668; 8.6485
90; 90; 90
418.55David, Renald
Crystal structure of hydrazine iron(III) phosphate, the first transition metal phosphate containing hydrazine
Acta Crystallographica Section E, 2015, 71, 1436-1438
2241202 CIF
HKL
Paper
C5 H11 Cl2 N3P 1 21 14.4358; 12.6281; 7.5588
90; 91.91; 90
423.18Louhibi, Samira; Belfilali, Imene; Boukli-Hacene, Leila; Roisnel, Thierry
Crystal structure of 2-(1<i>H</i>-imidazol-3-ium-4-yl)ethanaminium dichloride, a re-determination
Acta Crystallographica Section E, 2015, 71, o844-o845
2240294 CIF
HKL
Paper
C7 H9 N O5P 1 21 16.0101; 7.176; 9.8528
90; 93.19; 90
424.28Kanazawa, Hitoshi; Inada, Aya; Sakon, Aya; Uekusa, Hidehiro
Crystal structure of γ-methyl <small>L</small>-glutamate <i>N</i>-carboxy anhydride
Acta Crystallographica Section E, 2015, 71, 48-50
2240359 CIF
HKL
C10 H16 F6 N10 O2 SiP -15.75; 7.8504; 10.0884
79.141; 84.534; 71.774
424.47Belhouas, Ratiba; Bouacida, Sofiane; Boudaren, Chaouki; Daran, Jean-Claude; Chtoun, El Hossain
Crystal structure of bis(9<i>H</i>-6-aminopurin-1-ium) hexafluoridosilicate(IV) dihydrate
Acta Crystallographica Section E, 2015, 71, o72-o73
2241160 CIF
HKL
C20 H18 N2 O4P -14.5577; 6.9806; 13.7995
99.508; 94.297; 97.643
427.05Paul, Rima; Bora, Sanchay Jyoti
Redetermined structure of 4,4'-bipyridine‒1,4-phenylenediacetic acid (1:1) co-crystal
Acta Crystallographica Section E, 2015, 71, o799-o800
2240683 CIF
HKL
Paper
C4 H20 Cl6 Ir2 O6P -17.1445; 7.4876; 8.6362
73.597; 75.596; 89.404
428.37Merola, Joseph S.; Slebodnick, Carla; Houser, Christopher
Crystal structure of di-μ-chlorido-bis[dichloridobis(methanol-κ<i>O</i>)iridium(III)] dihydrate: a surprisingly simple chloridoiridium(III) dinuclear complex with methanol ligands
Acta Crystallographica Section E, 2015, 71, 528-530
2240935 CIF
HKL
Paper
C9 H8 N2 O SP -15.5253; 7.4528; 10.839
83.51; 85.79; 77.39
432.2Doroschuk, Roman
Crystal structure of <i>C</i>-2-benzothiazole-<i>N</i>-methylnitrone
Acta Crystallographica Section E, 2015, 71, o578-o579
2241086 CIF
HKL
C6 H11 N O3 SP -14.1782; 9.236; 11.82
98.19; 98.571; 102.36
433.3Henley, Matthew J.; Schrader, Alex M.; Young, Jr, Victor G.; Barany, George
Crystal structure of <i>O</i>-ethyl <i>N</i>-(ethoxycarbonyl)thiocarbamate
Acta Crystallographica Section E, 2015, 71, o782-o783
2240510 CIF
HKL
Paper
C11 H9 N RuP 1 21/m 17.2023; 8.6802; 7.2922
90; 106.497; 90
437.123Strehler, Frank; Korb, Marcus; Lang, Heinrich
Crystal structure of ruthenocenecarbonitrile
Acta Crystallographica Section E, 2015, 71, 398-401
2240913 CIF
HKL
C11 H11 F O2P 1 21 19.3742; 4.76845; 11.0212
90; 114.202; 90
449.35Rousselin, Yoann; Laureano, Hugo; Clavel, Alexandre
Crystal structure of (<i>R</i>)-6-fluoro-2-[(<i>S</i>)-oxiran-2-yl]chroman
Acta Crystallographica Section E, 2015, 71, o552-o553
2241117 CIF
HKL
Paper
C4 H12 Cl N O3 SP 1 21 15.4012; 8.2178; 10.2713
90; 94.534; 90
454.475Rajegowda, H. R.; Palakshamurthy, B. S.; Lokanath, N. K.; Naveen, S.; Raghavendra Kumar, P.
Crystal structure of (2<i>R</i>)-1-[(methylsulfonyl)oxy]propan-2-aminium chloride: a chiral molecular salt
Acta Crystallographica Section E, 2015, 71, o733-o734
2240692 CIF
HKL
Paper
C12 H9 N3 OP -13.7598; 10.2467; 12.8768
104.628; 96.616; 98.009
469.43Riad, Noura M.; Zlotos, Darius P.; Holzgrabe, Ulrike
Crystal structure of 5,11-dihydropyrido[2,3-<i>b</i>][1,4]benzodiazepin-6-one
Acta Crystallographica Section E, 2015, 71, o304-o305
2240568 CIF
HKL
Paper
N3 Na O9 Rb2P m c 215.327; 9.079; 9.718
90; 90; 90
470Ksiksi, Nesrine; Driss, Mohamed; Hellali, Dalila; Guesmi, Abderrahmen; Zamali, Hmida
Le nitrate double NaRb~2~(NO~3~)~3~, composé intermédiaire du système binaire isobare NaNO~3~ + RbNO~3~: études thermiques et cristallographiques
Acta Crystallographica Section E, 2015, 71, 455-458
2240991 CIF
HKL
C10 H11 N3 OP -17.023; 7.6198; 9.7868
69.709; 89.242; 75.191
473.27El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Baashen, Mohammed; Kariuki, Benson M.
Crystal structure of 3-amino-2-ethylquinazolin-4(3<i>H</i>)-one
Acta Crystallographica Section E, 2015, 71, o650-o651
2019834 CIF
HKL
Paper
C9 H10 Ag N O3P 1 21 17.2944; 7.1464; 9.2736
90; 101.546; 90
473.64Yousaf, Aqsa; Tahir, Muhammad Nawaz; Rauf, Abdul; Awan, Shafique Ahmad; Ahmad, Saeed
Crystal structure ofcatena-poly[silver(I)-μ-L-tyrosinato-κ2O:N]
Acta Crystallographica Section E Crystallographic Communications, 2015, 71, m50
2240618 CIF
HKL
Paper
Cl3 H12 O6 YbP 1 2/c 17.8158; 6.4651; 12.725
90; 131.45; 90
481.95Knopf, Kevin M.; Crundwell, Guy; Westcott, Barry L.
Crystal structure of hexaaquadichloridoytterbium(III) chloride
Acta Crystallographica Section E, 2015, 71, i5
2019827 CIF
HKL
Paper
H6 Mn O6 SnP 42/n :27.8655; 7.8655; 7.7938
90; 90; 90
482.17Lafuente, Barbara; Yang, Hexiong; Downs, Robert T.
Crystal structure of tetrawickmanite, Mn2+Sn4+(OH)6
Acta Crystallographica Section E Crystallographic Communications, 2015, 71, 234-237
2241296 CIF
HKL
Paper
C10 H6 Br N O3 SP -17.068; 7.677; 9.9977
68.119; 86.049; 83.658
500.1Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R.
Crystal structure of (5<i>Z</i>)-5-(5-bromo-2-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione
Acta Crystallographica Section E, 2015, 71, o919-o920
2241203 CIF
HKL
N O PC 1 2/c 16.9464; 12.034; 6.9463
90; 119.914; 90
503.3Bykov, Maxim; Bykova, Elena; Dyadkin, Vadim; Baumann, Dominik; Schnick, Wolfgang; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
Crystal structures of cristobalite-type and coesite-type PON redetermined on the basis of single-crystal X-ray diffraction data
Acta Crystallographica Section E, 2015, 71, 1325-1327
2240766 CIF
HKL
Paper
C12 H16 B2 Co F8 N4 O2P -17.9839; 8.3434; 8.8441
71.38; 88.458; 66.184
507.2Son, Jung-Su; Lim, Sung-Chul; Lee, Hochun; Hong, Seung-Tae
Crystal structure of <i>catena</i>-poly[[[diaquacobalt(II)]-bis(μ-hex-3-enedinitrile-κ^2^<i>N</i>:<i>N</i>')] bis(tetrafluoridoborate)]
Acta Crystallographica Section E, 2015, 71, m135-m136
2240303 CIF
HKL
Paper
C10 H13 N O2 SP -15.5865; 9.2195; 10.1924
85.798; 84.686; 77.166
508.89Jeyaseelan, S.; Nagendra Babu, S. L.; Venkateshappa, G.; Raghavendra Kumar, P.; Palakshamurthy, B. S.
Crystal structure of 1-methanesulfonyl-1,2,3,4-tetrahydroquinoline
Acta Crystallographica Section E, 2015, 71, o20
2240491 CIF
HKL
Paper
C12 H38 N6 P2 PtP -17.8871; 7.9499; 9.891
76.807; 73.241; 60.652
514.8Downs, Emma L.; Zakharov, Lev N.; Tyler, David R.
Crystal structure of <i>trans</i>-dihydridobis[tris(dimethylamino)phosphane-κ<i>P</i>]platinum(II)
Acta Crystallographica Section E, 2015, 71, m83-m84
2241302 CIF
HKL
C22 H30 Fe O4P -16.273; 8.313; 10.49
83.833; 74.405; 81.652
520Guo, Yan-Feng; Wang, Jian-Jun; Xu, Wei-Juan; Sun, Dong-Hao; Gao, Qiang
Crystal structure of 1,1'-bis(2-methoxycarbonyl-2-methylpropyl)ferrocene
Acta Crystallographica Section E, 2015, 71, m213-m214
2240974 CIF
HKL
Paper
C12 H12 N2 O2P 1 21 16.4235; 10.8139; 8.0123
90; 109.462; 90
524.76Kusano, Yukiko; Ohno, Keiji; Fujihara, Takashi
Crystal structure of 4,4'-dimethoxy-2,2'-bipyridine
Acta Crystallographica Section E, 2015, 71, o623-o624
2241089 CIF
HKL
Paper
C9 H9 N3 O2 SP -14.7454; 8.5691; 13.3886
81.386; 82.878; 79.416
526.52Tahir, Muhammad Nawaz; Anwar-ul-Haq, Muhammad; Choudhary, Muhammad Aziz
Crystal structure of 4-[(<i>E</i>)-(2-carbamothioylhydrazinylidene)methyl]benzoic acid
Acta Crystallographica Section E, 2015, 71, o772
2240287 CIF
HKL
C9 H13 Cl2 N O2P 1 21 15.9548; 10.551; 8.5747
90; 100.568; 90
529.6Schwierz, Markus; Görls, Helmar; Imhof, Wolfgang
Crystal structure of 2,2-dichloro-1-(piperidin-1-yl)butane-1,3-dione
Acta Crystallographica Section E, 2015, 71, o19
2241030 CIF
HKL
Paper
C8 H5 Br3 F N OP -16.1825; 8.929; 9.971
85.858; 87.966; 78.919
538.6Sreenivasa, S.; Naveen, S.; Lokanath, N. K.; Supriya, G. M.; Lakshmikantha, H. N.; Suchetan, P. A.
Crystal structures of three <i>N</i>-aryl-2,2,2-tribromoacetamides
Acta Crystallographica Section E, 2015, 71, 1048-1053
2240539 CIF
HKL
Paper
C12 H11 N O4P -17.1401; 8.7787; 9.0678
91.517; 104.227; 94.714
548.44Savithri, M. P.; Yuvaraj, P. S.; Reddy, B. S. R.; Raja, R.; SubbiahPandi, A.
Crystal structure of methyl 1-methyl-2-oxospiro[indoline-3,2'-oxirane]-3'-carboxylate
Acta Crystallographica Section E, 2015, 71, o274-o275
2240785 CIF
HKL
C11 H20 O2P -14.6346; 5.42; 22.7564
88.386; 88.357; 78.34
559.46Sonneck, Marcel; Peppel, Tim; Spannenberg, Anke; Wohlrab, Sebastian
Crystal structure of (<i>E</i>)-undec-2-enoic acid
Acta Crystallographica Section E, 2015, 71, o426-o427
2019951 CIF
HKL
Paper
C14 H13 N O2P 1 c 18.0357; 5.5554; 12.8733
90; 101.312; 90
563.52Chantrapromma, Suchada; Kaewmanee, Narissara; Boonnak, Nawong; Chantrapromma, Kan; Ghabbour, Hazem A.; Fun, Hoong-Kun
Crystal structure of (E)-2-hydroxy-4′-methoxyazastilbene
Acta Crystallographica Section E Crystallographic Communications, 2015, 71, 571
2240332 CIF
HKL
C16 H18 Br2 N2 Ni O2 S4P -16.8397; 9.1952; 9.7562
76.121; 73.935; 78.517
566.59Kant, Rajni; Kour, Gurvinder; Anthal, Sumati; Neerupama; Sachar, Renu
Crystal structure of bis(3-bromopyridine-κ<i>N</i>)bis(<i>O</i>-ethyl dithiocarbonato-κ^2^<i>S</i>,<i>S</i>')nickel(II)
Acta Crystallographica Section E, 2015, 71, m12-m13
2240994 CIF
HKL
Paper
C3 H6 N4 SP b c m8.8682; 9.823; 6.5427
90; 90; 90
569.95Manjula, Padmanabha S.; Sarojini, Balladka K.; Yathirajan, Hemmige S.; Akkurt, Mehmet; Ersanlı, Cem Cüneyt; Glidewell, Christopher
The crystal structures of three 3-methyl-1<i>H</i>-1,2,4-triazole-5-thiones, including a second polymorph of 4-[(<i>E</i>)-(5-bromo-2-hydroxybenzylidene)amino]-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione and a redetermination of 4-amino-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione
Acta Crystallographica Section E, 2015, 71, 1003-1009
2240928 CIF
HKL
C12 H11 N5P -17.5723; 8.6376; 9.7354
97.539; 106.123; 105.51
574.73Son, Kyung-sun; Park, Jong-Eun; Kim, Daeyoung; Kang, Sung Kwon
Crystal structure of 2-[bis(1<i>H</i>-pyrazol-1-yl)methyl]pyridine
Acta Crystallographica Section E, 2015, 71, o567
2240977 CIF
HKL
Paper
C20 H30 Co2 O10P -17.861; 8.2481; 9.8372
100.786; 106.708; 99.492
583.67Richers, Casseday P.; Bertke, Jeffery A.; Rauchfuss, Thomas B.
Crystal structure of di-μ-hydroxido-κ^4^<i>O</i>:<i>O</i>-bis[bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')cobalt(III)]
Acta Crystallographica Section E, 2015, 71, 983-985
2240573 CIF
HKL
Paper
C18 H28 Mn N6 O2 S2P -17.0771; 8.1586; 10.6491
76.381; 81.672; 79.809
584.72Suckert, Stefan; Jess, Inke; Näther, Christian
Crystal structure of bis[4-(dimethylamino)pyridine-κ<i>N</i>^1^]bis(methanol-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)manganese(II)
Acta Crystallographica Section E, 2015, 71, m126
2240714 CIF
HKL
Paper
C13 H13 N3 O2P -16.895; 7.862; 11.592
72.218; 79.662; 82.43
586.7Krishnamurthy, M. S.; Begum, Noor Shahina; Shamala, D.; Shivashankar, K.
Crystal structure of 4-azidomethyl-6-isopropyl-2<i>H</i>-chromen-2-one
Acta Crystallographica Section E, 2015, 71, o227-o228
2241493 CIF
HKL
C4 H8 Br4 S2 SnP 1 21/n 17.1033; 12.0526; 7.4032
90; 112.144; 90
587.06Reuter, Hans; Röwekamp-Krugley, Natalia; Imwalle, Marius; Keil, Simona; Reichelt, Martin
Crystal structure of a one-dimensional coordination polymer of tin(IV) bromide with 1,4-dithiane
Acta Crystallographica Section E, 2015, 71, m267-m268
2240431 CIF
HKL
C24 H32 N4 O4P -18.5531; 8.8379; 9.6492
115.166; 92.105; 113.288
587.68Alshawi, Jasim; Yousif, Muoayed; Zangana, Karzan H.; Vitorica Yrezabal, Inigo J.; Winpenny, Richard; Al-Jeboori, Mohamad J.
Crystal structure of diethyl 2,2'-[((1<i>E</i>,1'<i>E</i>)-{[(1<i>R</i>,4<i>R</i>)-cyclohexane-1,4-diyl]bis(azanylylidene)}bis(methanylylidene))bis(1<i>H</i>-pyrrole-2,1-diyl)]diacetate
Acta Crystallographica Section E, 2015, 71, o165-o166
2240326 CIF
HKL
C4 H4 O6 PbP 21 21 217.989; 8.8411; 8.3434
90; 90; 90
589.31Weil, Matthias
Crystal structure of lead(II) tartrate: a redetermination
Acta Crystallographica Section E, 2015, 71, 82-84
2241103 CIF
HKL
C10 H11 Br2 N O5P -18.62046; 9.2129; 9.4257
93.5208; 112.914; 115.976
595.05Gotoh, Kazuma; Tahara, Yuki; Ishida, Hiroyuki
Crystal structures of morpholinium hydrogen bromanilate at 130, 145 and 180K
Acta Crystallographica Section E, 2015, 71, 1226-1229
2241104 CIF
HKL
C10 H11 Br2 N O5P -18.62293; 9.21849; 9.4354
93.5239; 112.919; 115.978
596.13Gotoh, Kazuma; Tahara, Yuki; Ishida, Hiroyuki
Crystal structures of morpholinium hydrogen bromanilate at 130, 145 and 180K
Acta Crystallographica Section E, 2015, 71, 1226-1229
2241105 CIF
HKL
C10 H11 Br2 N O5P -18.62824; 9.23087; 9.46007
93.5321; 112.974; 115.951
598.67Gotoh, Kazuma; Tahara, Yuki; Ishida, Hiroyuki
Crystal structures of morpholinium hydrogen bromanilate at 130, 145 and 180K
Acta Crystallographica Section E, 2015, 71, 1226-1229
2241099 CIF
HKL
Paper
C13 H17 N O2P 1 21 19.759; 6.8952; 9.798
90; 114.348; 90
600.67Romero, Nancy; Bernès, Sylvain; Roa, Luis F.; Terán, Joel L.; Gnecco, Dino
Crystal structures of two chiral piperidine derivatives: 1-[(1<i>R</i>)-2-hydroxy-1-phenylethyl]piperidin-4-one and 8-[(1<i>S</i>)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decan-7-thione
Acta Crystallographica Section E, 2015, 71, 1207-1211
2240841 CIF
HKL
C14 H10 N2 O3 SP 1 21 13.931; 10.459; 14.657
90; 94.201; 90
601Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Borges, Fernanda
Crystal structures of two 6-(2-hydroxybenzoyl)-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidin-5-ones
Acta Crystallographica Section E, 2015, 71, 766-771
2240793 CIF
HKL
Paper
C11 H9 N O S3P -16.7342; 7.3762; 13.2917
79.386; 80.104; 68.908
601.44El Ajlaoui, Rahhal; Rakib, El Mostapha; Mojahidi, Souad; Saadi, Mohamed; El Ammari, Lahcen
Crystal structure of (<i>E</i>)-3-allyl-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]thiazolidin-4-one
Acta Crystallographica Section E, 2015, 71, o433-o434
2240876 CIF
HKL
Paper
C6 H3 Cl N2P 1 21/n 13.813; 14.047; 11.356
90; 96.806; 90
604Montgomery, Matthew J.; O'Connor, Thomas J.; Tanski, Joseph M.
Crystal structures of 4-chloropyridine-2-carbonitrile and 6-chloropyridine-2-carbonitrile exhibit different intermolecular π-stacking, C—H···N~nitrile~ and C—H···N~pyridine~ interactions
Acta Crystallographica Section E, 2015, 71, 852-856
2241252 CIF
HKL
Paper
C12 H17 N O4P -15.7079; 9.7735; 11.3586
78.277; 86.171; 77.512
605.58Smith, Graham; Lynch, Daniel E.
Crystal structures and hydrogen bonding in the morpholinium salts of four phenoxyacetic acid analogues
Acta Crystallographica Section E, 2015, 71, 1392-1396
2240890 CIF
HKL
C12 H22 O2P -14.6475; 5.4169; 24.7041
91.547; 91.788; 102.316
606.96Sonneck, Marcel; Peppel, Tim; Spannenberg, Anke; Wohlrab, Sebastian
Crystal structure of (<i>E</i>)-dodec-2-enoic acid
Acta Crystallographica Section E, 2015, 71, o528-o529
2240485 CIF
HKL
Paper
C20 H26 Mn N4 O4 S2P -16.9547; 9.7733; 10.1859
117.449; 94.978; 93.379
608.23Werner, Julia; Jess, Inke; Näther, Christian
Crystal structure of bis(4-acetylpyridine-κ<i>N</i>)bis(ethanol-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)manganese(II)
Acta Crystallographica Section E, 2015, 71, m81-m82
2240877 CIF
HKL
Paper
C6 H3 Cl N2P 1 21/n 16.1739; 15.238; 7.0123
90; 112.492; 90
609.5Montgomery, Matthew J.; O'Connor, Thomas J.; Tanski, Joseph M.
Crystal structures of 4-chloropyridine-2-carbonitrile and 6-chloropyridine-2-carbonitrile exhibit different intermolecular π-stacking, C—H···N~nitrile~ and C—H···N~pyridine~ interactions
Acta Crystallographica Section E, 2015, 71, 852-856
2240382 CIF
HKL
Paper
C16 H38 Cl2 Cu N6 O8P -18.223; 8.36; 10.039
92.87; 96.12; 116.6
609.8Kim, Dae-Woong; Shin, Jong Won; Moon, Dohyun
Crystal structure of <i>trans</i>-(1,8-dibutyl-1,3,6,8,10,13-hexaazacyclotetradecane-κ^4^<i>N</i>^3^,<i>N</i>^6^,<i>N</i>^10^,<i>N</i>^13^)bis(perchlorato-κ<i>O</i>)copper(II) from synchrotron data
Acta Crystallographica Section E, 2015, 71, 136-138
2241253 CIF
HKL
Paper
C12 H16 F N O4P -15.7997; 10.2605; 10.4836
88.388; 82.792; 80.325
610.11Smith, Graham; Lynch, Daniel E.
Crystal structures and hydrogen bonding in the morpholinium salts of four phenoxyacetic acid analogues
Acta Crystallographica Section E, 2015, 71, 1392-1396
2019810 CIF
HKL
Paper
C13 H9 Cl2 N O2P -16.4237; 8.8412; 11.7799
88.606; 76.588; 70.193
611.19Tahir, Muhammad Nawaz; Shad, Hazoor Ahmad; Rauf, Abdul; Khan, Abdul Haleem
Crystal structure of 3-{(E)-[(3,4-dichlorophenyl)imino]methyl}benzene-1,2-diol
Acta Crystallographica Section E Crystallographic Communications, 2015, 71, o137
2241231 CIF
HKL
Paper
C13 H17 N O3P -15.7365; 9.7526; 11.776
103.27; 93.468; 105.493
612.69Smith, Graham
Crystal structure of morpholin-4-ium cinnamate
Acta Crystallographica Section E, 2015, 71, o850-o851
2240321 CIF
HKL
Paper
C16 H10 F N O3P -16.6213; 7.0517; 14.0864
101.957; 90.047; 106.657
615.17Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Borges, Fernanda
The crystal structures of four <i>N</i>-(4-halophenyl)-4-oxo-4<i>H</i>-chromene-3-carboxamides
Acta Crystallographica Section E, 2015, 71, 88-93
2241056 CIF
HKL
Paper
C13 H8 Br Cl O SP -16.0152; 8.5691; 13.1824
75.25; 81.446; 70.281
617.08Naik, Vasant S.; Yathirajan, Hemmige S.; Jasinski, Jerry P.; Smolenski, Victoria A.; Glidewell, Christopher
The crystal structures of six (2<i>E</i>)-3-aryl-1-(5-halogenothiophen-2-yl)prop-2-en-1-ones
Acta Crystallographica Section E, 2015, 71, 1093-1099
2240825 CIF
HKL
Paper
C12 H4 Br2 F4 N2P 1 21/c 110.3274; 4.5667; 13.1039
90; 90.34; 90
618Broichhagen, Johannes; Woodmansee, David H.; Trauner, Dirk; Mayer, Peter
Crystal structure of (<i>E</i>)-1,2-bis(4-bromo-2,6-difluorophenyl)diazene
Acta Crystallographica Section E, 2015, 71, o459-o460
2240404 CIF
HKL
Paper
C13 H14 N2 O2P 1 c 17.597; 11.6665; 7.6754
90; 114.2; 90
620.49Kumar, M. Krishna; Pandi, P.; Sudhahar, S.; Chakkaravarthi, G.; Kumar, R. Mohan
Crystal structure of 4-aminobenzoic acid‒4-methylpyridine (1/1)
Acta Crystallographica Section E, 2015, 71, o125-o126
2240293 CIF
HKL
Paper
C9 H14 N2 O8 P2P -17.3668; 8.9833; 9.9733
75.0136; 77.2716; 88.5706
621.54Airoldi, Annalisa; Bettoni, Piergiorgio; Donnola, Monica; Calestani, Gianluca; Rizzoli, Corrado
Crystal structure of zwitterionic 3-(2-hydroxy-2-phosphonato-2-phosphonoethyl)imidazo[1,2-<i>a</i>]pyridin-1-ium monohydrate (minodronic acid monohydrate): a redetermination
Acta Crystallographica Section E, 2015, 71, 51-54
2240898 CIF
HKL
C15 H12 F N3 OP -15.6572; 7.3692; 15.5711
79.202; 81.159; 89.442
629.95Kumar, Balbir; Bhardwaj, Madhvi; Paul, Satya; Kant, Rajni; Gupta, Vivek K.
Crystal structure of 1-(4-fluorophenyl)-4-(4-methoxyphenyl)-1<i>H</i>-1,2,3-triazole
Acta Crystallographica Section E, 2015, 71, o534-o535
2240942 CIF
HKL
Paper
C13 H13 Cl2 N OP -18.1079; 8.8699; 9.1714
101.136; 97.799; 98.783
630.22Roopashree, K. R.; Meti, Gangadhar Y.; Kamble, Ravindra R.; Devarajegowda, H. C.
Crystal structure of 6-chloro-5-(2-chloroethyl)-3-(propan-2-ylidene)indolin-2-one
Acta Crystallographica Section E, 2015, 71, o592-o593
2240500 CIF
HKL
C11 H17 N3 O2 SP -16.7947; 8.5169; 11.1199
84.948; 81.825; 84.084
631.81Jamsari, Junita; Abas, Nur Fatihah; Ravoof, Thahira Begum S. A.; Tiekink, Edward R. T.
Crystal structure of 2'-hydroxyacetophenone 4-methylthiosemicarbazide
Acta Crystallographica Section E, 2015, 71, o244-o245
2240828 CIF
HKL
Paper
C24 H42 N2 O6P -16.9428; 9.5286; 9.8927
80.415; 81.697; 80.927
632.53Nazarenko, Alexander
Crystal structure of <i>cis</i>-<i>anti</i>-<i>cis</i>-dicyclohexane-18-crown-6 acetonitrile disolvate
Acta Crystallographica Section E, 2015, 71, o472-o473
2241237 CIF
HKL
C30 H32 N2 O6P -16.967; 9.163; 10.813
75.41; 74.97; 77.801
637.3Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki
Crystal structures of three co-crystals of 1,2-bis(pyridin-4-yl)ethane with 4-alkoxybenzoic acids: 4-ethoxybenzoic acid‒1,2-bis(pyridin-4-yl)ethane (2/1), 4-<i>n</i>-propoxybenzoic acid‒1,2-bis(pyridin-4-yl)ethane (2/1) and 4-<i>n</i>-butoxybenzoic acid‒1,2-bis(pyridin-4-yl)ethane (2/1)
Acta Crystallographica Section E, 2015, 71, 1340-1344
2240525 CIF
HKL
C28 H40 N2P -15.993; 10.064; 11.614
107.913; 100.484; 99.26
637.5Zhao, Sheng-Lan; Yuan, Jian-Chao; Zhao, Yan
Crystal structure of 2,3-bis[(4-<i>tert</i>-butyl-2,6-dimethylphenyl)imino]butane
Acta Crystallographica Section E, 2015, 71, o258
2241196 CIF
HKL
Paper
C10 H34 Cu N4 O18 S2P -17.115; 8.211; 12.561
91.83; 104.59; 114.57
638Lukianova, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam
Crystal structure of new organically templated copper sulfate with 2-aminopyridinium
Acta Crystallographica Section E, 2015, 71, m191-m192
2241359 CIF
HKL
Paper
C16 H12 N2 O3P -16.6508; 8.3906; 11.6388
96.504; 95.614; 94.757
639.31Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R.
Crystal structure of 2-oxo-<i>N</i>'-phenyl-2<i>H</i>-chromene-3-carbohydrazide
Acta Crystallographica Section E, 2015, 71, o1005-o1006
2240492 CIF
HKL
Paper
C18 H14 OP -18.7602; 9.1784; 9.2032
67.206; 71.67; 75.195
639.98Agrahari, Aditya; Wagers, Patrick O.; Schildcrout, Steven M.; Masnovi, John; Youngs, Wiley J.
Crystal structure of 9-methacryloylanthracene
Acta Crystallographica Section E, 2015, 71, 357-359
2240813 CIF
HKL
Paper
C12 H19 N O2 SP -15.3642; 10.3773; 12.1784
99.572; 95.498; 104.645
639.98Kennedy, Alan R.; Khalaf, Abedawn I.; Scott, Fraser J.; Suckling, Colin J.
Crystal structure of <i>N</i>,<i>N</i>-dimethyl-2-[(4-methylbenzyl)sulfonyl]ethanamine
Acta Crystallographica Section E, 2015, 71, 757-759
2240322 CIF
HKL
Paper
C16 H10 Cl N O3P -16.6325; 7.0577; 14.671
103.536; 89.714; 105.589
641.9Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Borges, Fernanda
The crystal structures of four <i>N</i>-(4-halophenyl)-4-oxo-4<i>H</i>-chromene-3-carboxamides
Acta Crystallographica Section E, 2015, 71, 88-93
2240466 CIF
HKL
C12 H15 N3 O2 SP -15.7207; 10.6225; 10.8103
83.908; 79.913; 87.029
642.74de Oliveira, Adriano Bof; Lira de Farias, Renan; Näther, Christian; Jess, Inke
Crystal structure of (<i>E</i>)-2-[1-(1,3-benzodioxol-5-yl)ethylidene]-<i>N</i>-ethylhydrazine-1-carbothioamide
Acta Crystallographica Section E, 2015, 71, o208-o209
2240310 CIF
HKL
Paper
Cu1.35 H2 Mg1.65 O9 P2P 1 21/n 18.0701; 9.8661; 8.9944
90; 115.242; 90
647.76Khmiyas, Jamal; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen
Crystal structure of magnesium copper(II) bis[orthophosphate(V)] monohydrate
Acta Crystallographica Section E, 2015, 71, 55-57
2241107 CIF
HKL
Paper
C5 H9 N O4C 1 2 18.3398; 9.6725; 8.0671
90; 95.175; 90
648.09Fujii, Isao
Crystal structure of (<i>S</i>)-2-amino-2-methylsuccinic acid
Acta Crystallographica Section E, 2015, 71, o731-o732
2241387 CIF
HKL
Paper
C20 H28 Co N8 O2 S2P -18.3009; 9.0466; 10.42
96.64; 105.82; 116.07
650.68Suckert, Stefan; Wöhlert, Susanne; Jess, Inke; Näther, Christian
Crystal structure of diaquabis(2,6-dimethylpyrazine-κ<i>N</i>^4^)bis(thiocyanato-κ<i>N</i>)cobalt(II) 2,5-dimethylpyrazine monosolvate
Acta Crystallographica Section E, 2015, 71, m242-m243
2240971 CIF
HKL
Paper
C15 H10 Cl F O2 SP -17.9626; 8.3518; 10.7127
92.758; 95.509; 112.373
652.967Choi, Hong Dae; Lee, Uk
Crystal structure of 5-chloro-2-(2-fluorophenyl)-3-methylsulfinyl-1-benzofuran
Acta Crystallographica Section E, 2015, 71, o621-o622
2240664 CIF
HKL
Paper
C17 H13 N O3P -16.6106; 7.0143; 15.3749
91.444; 95.238; 112.551
654.25Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Chavarria, Daniel; Borges, Fernanda
New insights in the discovery of novel <i>h</i>-MAO-B inhibitors: structural characterization of a series of <i>N</i>-phenyl-4-oxo-4<i>H</i>-chromene-3-carboxamide derivatives
Acta Crystallographica Section E, 2015, 71, 547-554
2241344 CIF
Paper
C8 H14 Cu N4 O8P 1 21/c 16.478; 21.5757; 4.8937
90; 105.856; 90
657.96Reinoso, Santiago; Artetxe, Beñat; Castillo, Oscar; Luque, Antonio; Gutiérrez-Zorrilla, Juan M.
Crystal structure of <i>trans</i>-diaquabis(1<i>H</i>-pyrazole-3-carboxylato-κ^2^<i>N</i>,<i>O</i>)copper(II) dihydrate
Acta Crystallographica Section E, 2015, 71, m232-m233
2240323 CIF
HKL
Paper
C16 H10 Br N O3P -16.6505; 9.358; 11.006
100.28; 90.461; 100.884
661.23Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Borges, Fernanda
The crystal structures of four <i>N</i>-(4-halophenyl)-4-oxo-4<i>H</i>-chromene-3-carboxamides
Acta Crystallographica Section E, 2015, 71, 88-93
2241052 CIF
HKL
Paper
C15 H13 Cl O SP -16.0154; 8.6358; 14.0548
74.428; 88.225; 70.417
661.23Naik, Vasant S.; Yathirajan, Hemmige S.; Jasinski, Jerry P.; Smolenski, Victoria A.; Glidewell, Christopher
The crystal structures of six (2<i>E</i>)-3-aryl-1-(5-halogenothiophen-2-yl)prop-2-en-1-ones
Acta Crystallographica Section E, 2015, 71, 1093-1099
2240700 CIF
HKL
Paper
As2 Cr Cs O7P 1 21/c 17.908; 10.0806; 8.6371
90; 105.841; 90
662.38Bouhassine, Mohamad Alem; Boughzala, Habib
Crystal structure of CsCrAs~2~O~7~, a new member of the diarsenate family
Acta Crystallographica Section E, 2015, 71, 636-639
2241040 CIF
HKL
Paper
C14 H13 N O5 SP -17.9958; 7.9991; 12.0238
83.908; 76.286; 63.411
668.09Atanasova, Tsvetelina P.; Riley, Sean; Biros, Shannon M.; Staples, Richard J.; Ngassa, Felix N.
Crystal structure of 3,5-dimethylphenyl 2-nitrobenzenesulfonate
Acta Crystallographica Section E, 2015, 71, 1045-1047
2240354 CIF
HKL
Paper
C12 H14 N2 O2 S2P -17.3069; 8.3267; 11.2461
90.109; 95.156; 101.276
668.183Suresh, M.; Padusha, M. Syed Ali; Novina, J. Josephine; Vasuki, G.; Viswanathan, Vijayan; Velmurugan, Devadasan
Crystal structure of ethyl 6-methyl-2-sulfanylidene-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Acta Crystallographica Section E, 2015, 71, o81-o82
2240619 CIF
HKL
Paper
C6 H9 Cl3 N2 O5 SnP -17.4757; 8.0857; 11.2846
80.856; 83.946; 86.587
669.05Diop, Mouhamadou Birame; Diop, Libasse; Plasseraud, Laurent; Maris, Thierry
Crystal structure of 2-methyl-1<i>H</i>-imidazol-3-ium aquatrichlorido(oxalato-κ^2^<i>O</i>,<i>O</i>')stannate(IV)
Acta Crystallographica Section E, 2015, 71, 520-522

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