Crystallography Open Database

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2242396 CIF
HKL
Paper
C12 H11 Br N4 O3P 1 21/n 17.6024; 12.7526; 13.8954
90; 104.869; 90
1302.05Osorio, Luis F. B.; Carvalho, Samir A.; da Silva, Edson F.; Fraga, Carlos A. M.; Wardell, Solange M. S. V.; Milne, Bruce F.; Wardell, James L.; Harrison, William T. A.
Different molecular conformations in the crystal structures of three 5-nitroimidazolyl derivatives
Acta Crystallographica Section E, 2018, 74, 380-384
2242397 CIF
HKL
Paper
C13 H10 Cl N OP 1 21/n 113.083; 5.8746; 14.825
90; 101.521; 90
1116.5Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher
Reinvestigation of the crystal structure of <i>N</i>-(4-chlorobenzylidene)-2-hydroxyaniline: a three-dimensional structure containing O—H···N, O—H···O and C—H···π(arene) hydrogen bonds
Acta Crystallographica Section E, 2018, 74, 376-379
2242398 CIF
HKL
Paper
C29 H36 O5P 1 21 112.1129; 7.8973; 12.9253
90; 94.93; 90
1231.85Ogbeide, K. Osahon; Kumar, Rajesh; Mujeeb-Ur-Rehman; Owolabi, Bodunde; Falodun, Abiodun; Choudhary, M. Iqbal; Yousuf, Sammer
Crystal structure and Hirshfeld surface analysis of the naturally occurring cassane-type diterpenoid, 6β-cinnamoyl-7β-hydroxyvouacapen-5α-ol
Acta Crystallographica Section E, 2018, 74, 385-389
2242399 CIF
HKL
Paper
C18 H20 Cl N5 O6 SP -18.24; 10.631; 13.72
108.15; 98.36; 105.07
1068.7Purandara, H.; Foro, S.; Thimme Gowda, B.
Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-4-chloro-<i>N</i>-{2-[2-(4-nitrobenzylidene)hydrazin-1-yl]-2-oxoethyl}benzenesulfonamide <i>N</i>,<i>N</i>-dimethylformamide monosolvate
Acta Crystallographica Section E, 2018, 74, 394-399
2242400 CIF
HKL
C19 H17 N3 OP 1 21/c 110.5652; 7.9136; 20.8153
90; 118.408; 90
1530.77Faizi, Md. Serajul Haque; Dege, Necmi; Iskenderov, Turganbay S.
Crystal structure and DFT study of (<i>E</i>)-4-[({4-[(pyridin-2-ylmethylidene)amino]phenyl}amino)methyl]phenol
Acta Crystallographica Section E, 2018, 74, 410-413
2242401 CIF
HKL
Paper
C27 H30 N2 O14P 1 21 18.3169; 34.28; 10.101
90; 114.293; 90
2624.8Mathivathanan, Logesh; Yang, Guang; Leng, Fenfei; Raptis, Raphael G.
Crystal structure and conformational analysis of doxorubicin nitrate
Acta Crystallographica Section E, 2018, 74, 400-405
2242402 CIF
HKL
Paper
C18 H22 O4 SP 1 21/n 18.2226; 14.5382; 14.723
90; 100.02; 90
1733.17Laamari, Yassine; Auhmani, Aziz; Ait Itto, My Youssef; Daran, Jean-Claude; Auhmani, Abdelwahed; Kouili, Mostafa
Crystal structure of 2-isopropyl-4-methoxy-5-methylphenyl 4-methylbenzenesulfonate
Acta Crystallographica Section E, 2018, 74, 419-421
2242403 CIF
HKL
Paper
C28 H34 N2 O5P 1 21 110.3142; 6.1114; 20.844
90; 92.83; 90
1312.3Zukerman-Schpector, Julio; Soto-Monsalve, Monica; De Almeida Santos, Regina H.; Machado, Angelo H. L.; Correia, Carlos Roque D.; Jotani, Mukesh M.; Tiekink, Edward R. T.
(1<i>R</i>,2<i>S</i>,5<i>R</i>)-5-Methyl-2-[2-(4-nitrophenyl)propan-2-yl]cyclohexyl 2-(4-methoxyphenyl)-2,5-dihydro-1<i>H</i>-pyrrole-1-carboxylate: crystal structure and Hirshfeld analysis
Acta Crystallographica Section E, 2018, 74, 414-418
2242404 CIF
HKL
C7 H6 B N O2P 1 21/c 13.8064; 16.156; 11.4585
90; 93.472; 90
703.36Cárdenas-Valenzuela, A. Jaquelin; González-García, Gerardo; Zárraga- Nuñez, Ramón; Höpfl, Herbert; Campos-Gaxiola, José J.; Cruz-Enríquez, Adriana
Crystal structure and Hirshfeld surface analysis of 3-cyanophenylboronic acid
Acta Crystallographica Section E, 2018, 74, 441-444
2242405 CIF
HKL
C23 H43 N O10P 1 21 17.4; 12.87; 13.92
90; 101.9; 90
1297Szebenyi, D. Marian; Kriksunov, Irina; Howe, Kevin J.; Ramsey, John S.; Hall, David G.; Heck, Michelle L.; Krasnoff, Stuart B.
Crystal structure of diaphorin methanol monosolvate isolated from <i>Diaphorina citri</i> Kuwayama, the insect vector of citrus greening disease
Acta Crystallographica Section E, 2018, 74, 445-449
2242406 CIF
HKL
Paper
C10 H16 Cl4 Co N6P 1 21/n 17.39; 15.373; 15.387
90; 98.203; 90
1730.2Ben Moussa, Oumaima; Chebbi, Hammouda; Zid, Mohamed Faouzi
Crystal structure and Hirshfeld surface analysis of bis(2,6-diaminopyridinium) tetrachloridocobaltate(II)
Acta Crystallographica Section E, 2018, 74, 436-440
2242407 CIF
HKL
Paper
C16 H14 N2 O3 SP b c a15.801; 10.28; 18.46
90; 90; 90
2999Yennawar, Hemant P.; Bradley, Heather G.; Perhonitch, Kristen C.; Reppert, Haley E.; Silverberg, Lee J.
Spontaneous resolution and crystal structure of (2<i>S</i>)-2-(3-nitrophenyl)-3-phenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one; crystal structure of <i>rac</i>-2-(4-nitrophenyl)-3-phenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one
Acta Crystallographica Section E, 2018, 74, 454-457
2242408 CIF
HKL
C16 H14 N2 O3 SP 21 21 218.6877; 9.6547; 18.137
90; 90; 90
1521.3Yennawar, Hemant P.; Bradley, Heather G.; Perhonitch, Kristen C.; Reppert, Haley E.; Silverberg, Lee J.
Spontaneous resolution and crystal structure of (2<i>S</i>)-2-(3-nitrophenyl)-3-phenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one; crystal structure of <i>rac</i>-2-(4-nitrophenyl)-3-phenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one
Acta Crystallographica Section E, 2018, 74, 454-457
2242409 CIF
HKL
Paper
C17 H15 N3 O3C 1 2 110.2069; 6.3761; 23.2265
90; 101.454; 90
1481.48Elkin, Igor; Maris, Thierry; Melkoumov, Alexandre; Hildgen, Patrice; Banquy, Xavier; Leclair, Grégoire; Barrett, Christopher
Crystal structure of 2-oxopyrrolidin-3-yl 4-(2-phenyldiazen-1-yl)benzoate
Acta Crystallographica Section E, 2018, 74, 458-460
2242410 CIFC32 H53 N3 O2C 1 2 120.113; 10.3898; 15.5934
90; 97.452; 90
3231Santalla, Hugo; Argibay, Saray
Crystal structure of (20<i>S</i>)-21-[4-(2-hydroxypropan-2-yl)-1<i>H</i>-1,2,3-triazol-4-yl]-20-(4-methylpentyl)-5-pregnen-3β-ol with an unknown solvate
Acta Crystallographica Section E, 2018, 74, 465-468
2242411 CIF
HKL
Paper
C19 H20 Cl N OP 1 21/c 111.3306; 13.3638; 10.9821
90; 91.996; 90
1661.9Rajkumar, K.; Sivakumar, S.; Arulraj, R.; Kaur, Manpreet; Jasinski, Jerry P.; Manimekalai, A.; Thiruvalluvar, A.
Crystal structures of two new 3-(2-chloroethyl)-<i>r</i>(2),<i>c</i>(6)-diarylpiperidin-4-ones
Acta Crystallographica Section E, 2018, 74, 483-486
2242412 CIF
HKL
Paper
C19 H18 Cl F2 N OP 1 21/c 15.5105; 24.2612; 12.8622
90; 93.809; 90
1715.77Rajkumar, K.; Sivakumar, S.; Arulraj, R.; Kaur, Manpreet; Jasinski, Jerry P.; Manimekalai, A.; Thiruvalluvar, A.
Crystal structures of two new 3-(2-chloroethyl)-<i>r</i>(2),<i>c</i>(6)-diarylpiperidin-4-ones
Acta Crystallographica Section E, 2018, 74, 483-486
2242413 CIF
HKL
Paper
C5.33333 H8.33333 Br Cl I N2C 1 m 113.9135; 21.9492; 6.4529
90; 128.314; 90
1546.2Lampl, Martin; Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig
Synthesis and crystal structures of 2-bromo-1,3-dimethylimidazolium iodides
Acta Crystallographica Section E, 2018, 74, 497-501
2242414 CIF
HKL
Paper
C11 H18 Br2 Cl2 I2 N4P 1 2/n 116.0223; 8.5334; 16.2881
90; 101.59; 90
2181.58Lampl, Martin; Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig
Synthesis and crystal structures of 2-bromo-1,3-dimethylimidazolium iodides
Acta Crystallographica Section E, 2018, 74, 497-501
2242415 CIF
HKL
Paper
C10 H16 Br2 I4 N4P 1 21/n 16.0861; 14.4773; 12.0303
90; 97.812; 90
1050.16Lampl, Martin; Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig
Synthesis and crystal structures of 2-bromo-1,3-dimethylimidazolium iodides
Acta Crystallographica Section E, 2018, 74, 497-501
2242416 CIF
HKL
Paper
C36 H49 Cl2 O2 P RuP 1 21/c 119.79; 19.95; 20.225
90; 118.17; 90
7039Makarova, Maria; Tsygankov, Alexey A.; Chusova, Olga; Linko, Ivan V.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.
Synthesis, crystal structure and catalytic activity in reductive amination of dichlorido(η^6^-<i>p</i>-cymene)(2'-dicyclohexylphosphanyl-2,6-dimethoxybiphenyl-κ<i>P</i>)ruthenium(II)
Acta Crystallographica Section E, 2018, 74, 487-491
2242417 CIF
HKL
Paper
C21 H24 O4P 1 21/c 112.4644; 18.1145; 8.272
90; 105.835; 90
1796.83Grecco, Simone S.; Jerz, Gerold; Lago, Joao Henrique G.; Jones, Peter G.
Crystal structure of Dehydrodieugenol B methyl ether, a neolignan from <i>Nectandra leucantha</i> Nees and Mart (Lauraceae)
Acta Crystallographica Section E, 2018, 74, 518-521
2242418 CIF
HKL
Paper
C31 H20 OP -19.831; 10.7521; 11.3029
67.146; 73.586; 78.768
1051.2Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana
(<i>E</i>)-1,3-Bis(anthracen-9-yl)prop-2-en-1-one: crystal structure and DFT study
Acta Crystallographica Section E, 2018, 74, 492-496
2242419 CIF
Paper
C20 H16 Cl N O2P 1 21/n 16.056; 7.363; 36.761
90; 91.3; 90
1638.8Ghichi, Nadir; Bensouici, Chawki; Benboudiaf, Ali; DJebli, Yacine; Merazig, Hocine
Crystal structures and antioxidant capacity of (<i>E</i>)-5-benzyloxy-2-{[(4-chlorophenyl)imino]methyl}phenol and (<i>E</i>)-5-benzyloxy-2-({[2-(1<i>H</i>-indol-3-yl)ethyl]iminiumyl}methyl)phenolate
Acta Crystallographica Section E, 2018, 74, 478-482
2242420 CIF
Paper
C24 H22 N2 O2P 1 21/c 15.5265; 20.1714; 17.027
90; 97.216; 90
1883.1Ghichi, Nadir; Bensouici, Chawki; Benboudiaf, Ali; DJebli, Yacine; Merazig, Hocine
Crystal structures and antioxidant capacity of (<i>E</i>)-5-benzyloxy-2-{[(4-chlorophenyl)imino]methyl}phenol and (<i>E</i>)-5-benzyloxy-2-({[2-(1<i>H</i>-indol-3-yl)ethyl]iminiumyl}methyl)phenolate
Acta Crystallographica Section E, 2018, 74, 478-482
2242421 CIF
HKL
Paper
C6 H10 N16 O4P 1 21/c 17.766; 13.6716; 6.8655
90; 95.237; 90
725.89Giles, Ian D.; DeHope, Alan J.; Zuckerman, Nathaniel B.; Parrish, Damon A.; Pagoria, Philip F.
Effect of counter-ion on packing and crystal density of 5,5'-(3,3'-bi[1,2,4-oxadiazole]-5,5'-diyl)bis(1<i>H</i>-tetrazol-1-olate) with five different cations
Acta Crystallographica Section E, 2018, 74, 505-513
2242422 CIF
HKL
Paper
C6 H8 N14 O6P 1 21/c 15.1011; 18.494; 7.0044
90; 92.624; 90
660.1Giles, Ian D.; DeHope, Alan J.; Zuckerman, Nathaniel B.; Parrish, Damon A.; Pagoria, Philip F.
Effect of counter-ion on packing and crystal density of 5,5'-(3,3'-bi[1,2,4-oxadiazole]-5,5'-diyl)bis(1<i>H</i>-tetrazol-1-olate) with five different cations
Acta Crystallographica Section E, 2018, 74, 505-513
2242423 CIF
HKL
Paper
C10 H16 N14 O4P -16.0946; 8.5197; 9.2814
68.259; 75.957; 74.816
426.28Giles, Ian D.; DeHope, Alan J.; Zuckerman, Nathaniel B.; Parrish, Damon A.; Pagoria, Philip F.
Effect of counter-ion on packing and crystal density of 5,5'-(3,3'-bi[1,2,4-oxadiazole]-5,5'-diyl)bis(1<i>H</i>-tetrazol-1-olate) with five different cations
Acta Crystallographica Section E, 2018, 74, 505-513
2242424 CIF
HKL
Paper
C8 H16 N22 O8P 1 21/c 124.783; 12.7081; 6.8396
90; 96.289; 90
2141.1Giles, Ian D.; DeHope, Alan J.; Zuckerman, Nathaniel B.; Parrish, Damon A.; Pagoria, Philip F.
Effect of counter-ion on packing and crystal density of 5,5'-(3,3'-bi[1,2,4-oxadiazole]-5,5'-diyl)bis(1<i>H</i>-tetrazol-1-olate) with five different cations
Acta Crystallographica Section E, 2018, 74, 505-513
2242425 CIF
HKL
Paper
C8 H14 N20 O4P 1 21/n 17.9458; 5.5586; 20.6066
90; 97.647; 90
902.05Giles, Ian D.; DeHope, Alan J.; Zuckerman, Nathaniel B.; Parrish, Damon A.; Pagoria, Philip F.
Effect of counter-ion on packing and crystal density of 5,5'-(3,3'-bi[1,2,4-oxadiazole]-5,5'-diyl)bis(1<i>H</i>-tetrazol-1-olate) with five different cations
Acta Crystallographica Section E, 2018, 74, 505-513
2242426 CIF
HKL
Paper
C36 H55 N O15P 21 21 2110.3581; 13.4039; 26.1689
90; 90; 90
3633.26Gelbrich, Thomas; Langes, Christoph; Stefinovic, Marijan; Griesser, Ulrich J.
Naloxegol hydrogen oxalate displaying an hydrogen-bonded layer structure
Acta Crystallographica Section E, 2018, 74, 474-477
2242427 CIF
HKL
Paper
C23 H40 Cl2 Co N5 OP -19.6903; 15.668; 17.985
86.43; 74.848; 88.97
2630.6Oxley, Benjamin M.; Mash, Brandon; Zeller, Matthias; Banziger, Susannah; Ren, Tong
Crystal structures of 5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane cobalt(III) mono-phenylacetylide and bis-phenylacetylide
Acta Crystallographica Section E, 2018, 74, 522-529
2242428 CIF
HKL
Paper
C59 H78 Cl2 Co2 F6 N8 O6 S2P 1 21 112.0263; 12.3999; 21.9164
90; 105.326; 90
3152.1Oxley, Benjamin M.; Mash, Brandon; Zeller, Matthias; Banziger, Susannah; Ren, Tong
Crystal structures of 5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane cobalt(III) mono-phenylacetylide and bis-phenylacetylide
Acta Crystallographica Section E, 2018, 74, 522-529
2242429 CIF
HKL
Paper
C20 H18 O4P 1 21/c 118.684; 6.5431; 13.6688
90; 93.627; 90
1667.7Ouédraogo, Mohammad; Abou, Akoun; Djandé, Abdoulaye; Ouari, Olivier; Zoueu, T. Jérémie
2-Oxo-2<i>H</i>-chromen-7-yl 4-<i>tert</i>-butylbenzoate
Acta Crystallographica Section E, 2018, 74, 530-534
2242430 CIF
HKL
Paper
C46 H64 O S12 Si3P -114.9964; 15.107; 16.0026
91.6815; 117.608; 99.1383
3149.79Fleck, Nico; Schnakenburg, Gregor; Filippou, Alexander C.; Schiemann, Olav
Tris[2,2,6,6-tetramethyl-8-(trimethylsilyl)benzo[1,2-<i>d</i>;4,5-<i>d</i>']bis(1,3-dithiol)-4-yl]methanol diethyl ether monosolvate
Acta Crystallographica Section E, 2018, 74, 539-542
2242431 CIF
HKL
Paper
C2 Cs F6 N O4 S2P 1 21/c 111.431; 6.918; 13.469
90; 103.686; 90
1034.9Stritzinger, Jared T.; Droessler, Janelle E.; Scott, Brian L.; Goff, George S.
Cs[Tf~2~N]: a second polymorph with a layered structure
Acta Crystallographica Section E, 2018, 74, 551-554
2242432 CIF
HKL
Paper
C26 H20 N2P 1 21/n 16.0814; 21.5212; 14.8312
90; 91.2496; 90
1940.63Kim, Young-Inn; Yun, Seong-Jae; Kang, Sung Kwon
Crystal structure of 2,3-bis(4-methylphenyl)benzo[<i>g</i>]quinoxaline
Acta Crystallographica Section E, 2018, 74, 548-550
2242433 CIF
HKL
Paper
C8 H10 N6 O SP 1 21/n 13.7856; 28.393; 9.6324
90; 93.824; 90
1033.03Chotima, Ratanon; Boonseng, Bussaba; Piyasaengthong, Akkharadet; Songsasen, Apisit; Chainok, Kittipong
Crystal structure of 3-[2-(1,3-thiazol-2-yl)diazen-1-yl]pyridine-2,6-diamine monohydrate
Acta Crystallographica Section E, 2018, 74, 563-565
2242434 CIF
HKL
Paper
C31 H48 N12 O17P 1 c 116.5434; 6.79456; 18.139
90; 110.865; 90
1905.21Vella-Zarb, L.; Baisch, U.
Crystal water as the molecular glue for obtaining different co-crystal ratios: the case of gallic acid tris-caffeine hexahydrate
Acta Crystallographica Section E, 2018, 74, 559-562
2242435 CIF
HKL
Paper
C17 H25 N O5P 21 21 216.618; 7.1197; 34.7351
90; 90; 90
1636.65Oishi, Takeshi; Yoritate, Makoto; Sato, Takaaki; Chida, Noritaka
Crystal structure of ({-})-(5<i>R</i>,7<i>R</i>,8<i>S</i>,9<i>R</i>,10<i>S</i>)-8-methyl-7-[(5<i>R</i>)-3-methyl-2-oxooxolan-3-en-5-yl]-1-aza-6-oxatricyclo[8.3.0.0^5,9^]tridecan-13-one monohydrate
Acta Crystallographica Section E, 2018, 74, 555-558
2242436 CIF
HKL
Paper
C11 H13 Cl2 N5 OC 1 2/c 121.2458; 10.232; 14.8428
90; 118.808; 90
2827.3Hall, Charlie L.; Potticary, Jason; Sparkes, Hazel A.; Pridmore, Natalie E.; Hall, Simon R.
Lamotrigine ethanol monosolvate
Acta Crystallographica Section E, 2018, 74, 678-681
2242437 CIF
HKL
Paper
C30 H24 Cl2 Fe N8 O8P 1 21/n 18.3251; 17.4731; 11.0495
90; 98.716; 90
1588.8Setifi, Zouaoui; Setifi, Fatima; Dege, Necmi; El Ati, Rafika; Glidewell, Christopher
Redetermination of the crystal structure of bis(tri-2-pyridylamine)iron(II) bis(perchlorate), and a new refinement of the isotypic nickel(II) analogue: treatment of the perchlorate anion disorder
Acta Crystallographica Section E, 2018, 74, 668-672
2242438 CIF
HKL
Paper
C30 H24 Cl2 N8 Ni O8P 1 21/n 18.36; 17.57; 11.165
90; 99.542; 90
1617.3Setifi, Zouaoui; Setifi, Fatima; Dege, Necmi; El Ati, Rafika; Glidewell, Christopher
Redetermination of the crystal structure of bis(tri-2-pyridylamine)iron(II) bis(perchlorate), and a new refinement of the isotypic nickel(II) analogue: treatment of the perchlorate anion disorder
Acta Crystallographica Section E, 2018, 74, 668-672
2242439 CIF
HKL
Paper
C14 H12 Cl2 Co N4P 1 2/n 17.712; 6.7898; 14.348
90; 98.533; 90
743Seth, Saikat Kumar
Structural characterization and Hirshfeld surface analysis of a Co^II^ complex with imidazo[1,2-<i>a</i>]pyridine
Acta Crystallographica Section E, 2018, 74, 600-606
2242440 CIF
HKL
Paper
C6 H2 Br4P 1 21/n 13.939; 10.781; 9.944
90; 100.49; 90
415.2Zakharov, Boris A.; Gal, Zoltan; Cruickshank, Dyanne; Boldyreva, Elena V.
Studying weak interactions in crystals at high pressures: when hardware matters
Acta Crystallographica Section E, 2018, 74, 613-619
2242441 CIF
HKL
C6 H2 Br4P 1 21/n 13.939; 10.781; 9.944
90; 100.49; 90
415.2Zakharov, Boris A.; Gal, Zoltan; Cruickshank, Dyanne; Boldyreva, Elena V.
Studying weak interactions in crystals at high pressures: when hardware matters
Acta Crystallographica Section E, 2018, 74, 613-619
2242442 CIF
HKL
C6 H2 Br4P 1 21/n 13.939; 10.781; 9.944
90; 100.49; 90
415.2Zakharov, Boris A.; Gal, Zoltan; Cruickshank, Dyanne; Boldyreva, Elena V.
Studying weak interactions in crystals at high pressures: when hardware matters
Acta Crystallographica Section E, 2018, 74, 613-619
2242443 CIF
HKL
C6 H2 Br4P 1 21/n 13.9431; 10.7566; 9.964
90; 100.557; 90
415.46Zakharov, Boris A.; Gal, Zoltan; Cruickshank, Dyanne; Boldyreva, Elena V.
Studying weak interactions in crystals at high pressures: when hardware matters
Acta Crystallographica Section E, 2018, 74, 613-619
2242444 CIF
HKL
C6 H2 Br4P 1 21/n 13.9431; 10.7566; 9.964
90; 100.557; 90
415.46Zakharov, Boris A.; Gal, Zoltan; Cruickshank, Dyanne; Boldyreva, Elena V.
Studying weak interactions in crystals at high pressures: when hardware matters
Acta Crystallographica Section E, 2018, 74, 613-619
2242445 CIF
HKL
C6 H2 Br4P 1 21/n 13.9431; 10.7566; 9.964
90; 100.557; 90
415.46Zakharov, Boris A.; Gal, Zoltan; Cruickshank, Dyanne; Boldyreva, Elena V.
Studying weak interactions in crystals at high pressures: when hardware matters
Acta Crystallographica Section E, 2018, 74, 613-619
2242446 CIF
HKL
C6 H2 Br4P 1 21/n 13.9431; 10.7566; 9.964
90; 100.557; 90
415.46Zakharov, Boris A.; Gal, Zoltan; Cruickshank, Dyanne; Boldyreva, Elena V.
Studying weak interactions in crystals at high pressures: when hardware matters
Acta Crystallographica Section E, 2018, 74, 613-619
2242447 CIF
HKL
C6 H2 Br4P 1 21/n 13.9431; 10.7566; 9.964
90; 100.557; 90
415.46Zakharov, Boris A.; Gal, Zoltan; Cruickshank, Dyanne; Boldyreva, Elena V.
Studying weak interactions in crystals at high pressures: when hardware matters
Acta Crystallographica Section E, 2018, 74, 613-619
2242448 CIF
HKL
C6 H2 Br4P 1 21/n 13.9431; 10.7566; 9.964
90; 100.557; 90
415.46Zakharov, Boris A.; Gal, Zoltan; Cruickshank, Dyanne; Boldyreva, Elena V.
Studying weak interactions in crystals at high pressures: when hardware matters
Acta Crystallographica Section E, 2018, 74, 613-619
2242449 CIF
HKL
Paper
C27 H18 OP b c a13.2129; 11.1224; 25.1604
90; 90; 90
3697.6Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana
The effect of the fused-ring substituent on anthracene chalcones: crystal structural and DFT studies of 1-(anthracen-9-yl)-3-(naphthalen-2-yl)prop-2-en-1-one and 1-(anthracen-9-yl)-3-(pyren-1-yl)prop-2-en-1-one
Acta Crystallographica Section E, 2018, 74, 650-655
2242450 CIF
HKL
C33 H20 OP 1 21/c 117.118; 12.31; 11.152
90; 107.929; 90
2235.9Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana
The effect of the fused-ring substituent on anthracene chalcones: crystal structural and DFT studies of 1-(anthracen-9-yl)-3-(naphthalen-2-yl)prop-2-en-1-one and 1-(anthracen-9-yl)-3-(pyren-1-yl)prop-2-en-1-one
Acta Crystallographica Section E, 2018, 74, 650-655
2242451 CIF
HKL
Paper
C12 H12 B F2 N3 OP 1 21/n 16.808; 24.8217; 14.4744
90; 100.489; 90
2405.1Feng, Huixiao; Yin, Zhenming
Crystal structure of difluorido{2-[(4-hydroxyphenyl)diazenyl]-3,5-dimethylpyrrolido}boron
Acta Crystallographica Section E, 2018, 74, 743-746
2242452 CIF
HKL
Paper
C11 H12 N6 O SP -17.2341; 9.3852; 9.7971
95.82; 91.116; 105.682
636.33Choudhury, Manisha; Viswanathan, Vijayan; Timiri, Ajay Kumar; Sinha, Barij Nayan; Jeyaprakash, Venkatesan; Velmurugan, Devadasan
Crystal structures and Hirshfeld surface analyses of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(pyridin-2-yl)acetamide and 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(pyrazin-2-yl)acetamide
Acta Crystallographica Section E, 2018, 74, 718-723
2242453 CIF
HKL
Paper
C10 H11 N7 O SP 1 21/n 112.1333; 8.1561; 12.8442
90; 94.307; 90
1267.48Choudhury, Manisha; Viswanathan, Vijayan; Timiri, Ajay Kumar; Sinha, Barij Nayan; Jeyaprakash, Venkatesan; Velmurugan, Devadasan
Crystal structures and Hirshfeld surface analyses of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(pyridin-2-yl)acetamide and 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(pyrazin-2-yl)acetamide
Acta Crystallographica Section E, 2018, 74, 718-723
2242454 CIF
HKL
Paper
C13 H14 Cl N3 O3P 1 21/c 110.1148; 11.2236; 14.579
90; 120.94; 90
1419.57Jeevaraj, Muthaiah; Sivajeyanthi, Palaniyappan; Edison, Bellarmin; Thanigaimani, Kaliyaperumal; Balasubramani, Kasthuri
Crystal structure, hydrogen bonding and Hirshfeld surface analysis of 2-amino-4-methoxy-6-methylpyrimidinium 4-chlorobenzoate
Acta Crystallographica Section E, 2018, 74, 656-659
2242455 CIF
HKL
Paper
C16 H16 N4 O5 S2P -17.5308; 10.9167; 12.4438
66.058; 79.034; 72.156
887.47Morscher, Alexandra; de Souza, Marcus V. N.; Wardell, James L.; Harrison, William T. A.
Expected and unexpected products of reactions of 2-hydrazinylbenzothiazole with 3-nitrobenzenesulfonyl chloride in different solvents
Acta Crystallographica Section E, 2018, 74, 673-677
2242456 CIF
HKL
Paper
C13 H10 N4 O4 S2P -16.83537; 13.5788; 15.6907
99.382; 98.2324; 91.9841
1419.55Morscher, Alexandra; de Souza, Marcus V. N.; Wardell, James L.; Harrison, William T. A.
Expected and unexpected products of reactions of 2-hydrazinylbenzothiazole with 3-nitrobenzenesulfonyl chloride in different solvents
Acta Crystallographica Section E, 2018, 74, 673-677
2242457 CIF
HKL
Paper
C19 H15 N5 O9 S3P -110.0399; 10.7585; 11.3372
85.607; 71.369; 77.115
1131.17Morscher, Alexandra; de Souza, Marcus V. N.; Wardell, James L.; Harrison, William T. A.
Expected and unexpected products of reactions of 2-hydrazinylbenzothiazole with 3-nitrobenzenesulfonyl chloride in different solvents
Acta Crystallographica Section E, 2018, 74, 673-677
2242458 CIF
HKL
Paper
C22 H28 O3P 1 21 17.4103; 10.4681; 12.8121
90; 102.235; 90
971.28Laamari, Yassine; Ait Itto, Moulay Youssef; Riahi, Abdelkhalek; Chevreux, Sylviane; Auhmani, Aziz; Ketatni, El Mostafa
Crystal structure of (4b<i>S</i>,8a<i>R</i>)-1-isopropyl-4b,8,8-trimethyl-7-oxo-4b,7,8,8a,9,10-hexahydrophenanthren-2-yl acetate
Acta Crystallographica Section E, 2018, 74, 728-730
2242459 CIF
HKL
Paper
C28 H24 N2 O3P -110.2293; 10.9623; 11.3087
108.557; 96.7616; 110.409
1088.76Arafath, Md. Azharul; Kwong, Huey Chong; Adam, Farook; Razali, Mohd. R.
6,6'-[(1<i>E</i>,1'<i>E</i>)-Oxybis(4,1-phenylene)bis(azanylylidene)bis(methanylylidene)]bis(2-methylphenol): supramolecular assemblies in two dimensions mediated by weak C—H···N, C—H···O and C—H···π interactions
Acta Crystallographica Section E, 2018, 74, 687-690
2242460 CIF
HKL
Paper
C8 H5 F3 OC 1 2/c 113.8129; 12.6034; 8.3595
90; 90.396; 90
1455.27Dey, Dhananjay; Sirohiwal, Abhishek; Chopra, Deepak
Crystal packing analysis of <i>in situ</i> cryocrystallized 2,2,2-trifluoroacetophenone
Acta Crystallographica Section E, 2018, 74, 607-612
2242461 CIF
HKL
Paper
C16 H9 F O4P 1 21 14.0181; 5.7296; 27.5566
90; 91.66; 90
634.14Abou, Akoun; Yoda, Jules; Djandé, Abdoulaye; Coussan, Stéphane; Zoueu, T. Jérémie
Crystal structure of 2-oxo-2<i>H</i>-chromen-7-yl 4-fluorobenzoate
Acta Crystallographica Section E, 2018, 74, 761-765
2242462 CIF
HKL
Paper
C30 H24 Fe2 O2P 1 21/n 15.81006; 22.7138; 8.38031
90; 91.785; 90
1105.4Linden, Anthony; Hamera-Fałdyga, Róża; Mlostoń, Grzegorz; Heimgartner, Heinz
Crystal structure of (<i>E</i>)-1,2-diferrocenyl-1,2-bis(furan-2-yl)ethene
Acta Crystallographica Section E, 2018, 74, 625-629
2242463 CIF
HKL
C20 H12 Br Mn N2 O5P 1 21/n 110.525; 18.187; 12.459
90; 105.928; 90
2293.3Lense, Sheri; Guzei, Ilia A.; Andersen, Jessica; Thao, Kong Choua
Crystal structures of a manganese(I) and a rhenium(I) complex of a bipyridine ligand with a non-coordinating benzoic acid moiety
Acta Crystallographica Section E, 2018, 74, 731-736
2242464 CIF
HKL
C24 H20 Cl N2 O6 ReP 1 21/c 115.462; 11.37; 13.37
90; 98.023; 90
2327.5Lense, Sheri; Guzei, Ilia A.; Andersen, Jessica; Thao, Kong Choua
Crystal structures of a manganese(I) and a rhenium(I) complex of a bipyridine ligand with a non-coordinating benzoic acid moiety
Acta Crystallographica Section E, 2018, 74, 731-736
2242465 CIF
HKL
Paper
C22 H32 N4 O5P -18.3604; 11.41; 12.4661
83.001; 83.364; 73.973
1130.24Elkin, Igor; Maris, Thierry; Christopherson, Jan-Constantin; Borchers, Tristan H.; Barrett, Christopher J.
Crystal structure of octane-1,8-diaminium 4,4'-(diazene-1,2-diyl)dibenzoate monohydrate
Acta Crystallographica Section E, 2018, 74, 724-727
2242466 CIF
HKL
Paper
C23 H30 O4C 1 c 142.287; 7.2848; 6.7006
90; 91.226; 90
2063.7Geiger, David K.; Geiger, H. Cristina; Morell, Dominic L.
An exploration of O—H···O and C—H···π interactions in a long-chain-ester-substituted phenylphenol: methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate
Acta Crystallographica Section E, 2018, 74, 594-599
2242467 CIF
HKL
Paper
C32 H26 Cl N3 O2P -16.7722; 11.5017; 16.6305
80.224; 84.618; 81.077
1258.09Vishnupriya, R.; Selva Meenatchi, C.; Suresh, J.; Sumesh, R. V.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha
Crystal structure and Hirshfeld surface analysis of 4'-(2-chlorophenyl)-1'-methyl-3''-phenyl-7'',8''-dihydro-5''<i>H</i>-dispiro[indoline-3,2'-pyrrolidine-3',6''-isoquinoline]-2,5''-dione
Acta Crystallographica Section E, 2018, 74, 660-663
2242468 CIF
HKL
Paper
C15 H13 Cl O2 SP c a 2117.964; 8.0234; 9.7761
90; 90; 90
1409.1Caracelli, Ignez; Zukerman-Schpector, Julio; Traesel, Henrique J.; Olivato, Paulo R.; Jotani, Mukesh M.; Tiekink, Edward R. T.
2-[(4-Chlorophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one: crystal structure and Hirshfeld surface analysis
Acta Crystallographica Section E, 2018, 74, 703-708
2242469 CIF
HKL
C14 H16 N2 O2P 1 21/n 19.4094; 9.4697; 15.1613
90; 102.247; 90
1320.19Blignaut, Jacques; Lemmerer, Andreas
An investigation to elucidate the factors dictating the crystal structure of seven ammonium carboxylate molecular salts
Acta Crystallographica Section E, 2018, 74, 580-586
2242470 CIF
HKL
C23 H24 F N O2P 1 21/n 112.4146; 5.9101; 27.3645
90; 90.793; 90
2007.58Blignaut, Jacques; Lemmerer, Andreas
An investigation to elucidate the factors dictating the crystal structure of seven ammonium carboxylate molecular salts
Acta Crystallographica Section E, 2018, 74, 580-586
2242471 CIF
HKL
C15 H15 Cl N2 O4C 1 2/c 115.5817; 6.3914; 31.3238
90; 100.998; 90
3062.2Blignaut, Jacques; Lemmerer, Andreas
An investigation to elucidate the factors dictating the crystal structure of seven ammonium carboxylate molecular salts
Acta Crystallographica Section E, 2018, 74, 580-586
2242472 CIF
HKL
C15 H16 I N O2P 1 21/n 19.7224; 6.0571; 24.8767
90; 99.527; 90
1444.77Blignaut, Jacques; Lemmerer, Andreas
An investigation to elucidate the factors dictating the crystal structure of seven ammonium carboxylate molecular salts
Acta Crystallographica Section E, 2018, 74, 580-586
2242473 CIF
HKL
C15 H21 Cl N2 O4C 1 2 116.228; 6.4392; 15.5937
90; 104.289; 90
1579.1Blignaut, Jacques; Lemmerer, Andreas
An investigation to elucidate the factors dictating the crystal structure of seven ammonium carboxylate molecular salts
Acta Crystallographica Section E, 2018, 74, 580-586
2242474 CIF
HKL
C15 H19 Br N O2P 1 21/n 16.4391; 17.0023; 14.1588
90; 102.241; 90
1514.86Blignaut, Jacques; Lemmerer, Andreas
An investigation to elucidate the factors dictating the crystal structure of seven ammonium carboxylate molecular salts
Acta Crystallographica Section E, 2018, 74, 580-586
2242475 CIF
HKL
C15 H22 Br N O2P 21 21 216.279; 15.661; 15.88
90; 90; 90
1561.57Blignaut, Jacques; Lemmerer, Andreas
An investigation to elucidate the factors dictating the crystal structure of seven ammonium carboxylate molecular salts
Acta Crystallographica Section E, 2018, 74, 580-586
2242476 CIF
HKL
Paper
C13 H7 Br3 N2 O2P 1 21/c 118.1742; 4.7885; 16.0308
90; 104.56; 90
1350.31Hill, Tania N.; Savig, Kelsey L.; Lemmerer, Andreas
Crystal structure of 5-[2-(2,4,6-tribromophenyl)diazenyl]tropolone
Acta Crystallographica Section E, 2018, 74, 709-712
2242477 CIF
HKL
Paper
C49 H75 Li O9P 1 21/n 112.8434; 20.0919; 19.3168
90; 92.561; 90
4979.7Yamada, Manabu; Gandhi, Muniyappan Rajiv; Akimoto, Kazuhiko; Hamada, Fumio
Crystal structure of a supramolecular lithium complex of <i>p</i>-<i>tert</i>-butylcalix[4]arene
Acta Crystallographica Section E, 2018, 74, 575-579
2242478 CIF
HKL
Paper
C16 H22 Cl N3 O2 SP 1 21/c 115.13; 15.7219; 7.1203
90; 90.6; 90
1693.6Canossa, Stefano; Predieri, Giovanni; Graiff, Claudia
Hydrogen bonds and π–π interactions in two new crystalline phases of methylene blue
Acta Crystallographica Section E, 2018, 74, 587-593
2242479 CIF
HKL
Paper
C16 H19 N3 O4 S2P 1 21/n 17.867; 14.101; 15.027
90; 90.348; 90
1667Canossa, Stefano; Predieri, Giovanni; Graiff, Claudia
Hydrogen bonds and π–π interactions in two new crystalline phases of methylene blue
Acta Crystallographica Section E, 2018, 74, 587-593
2242480 CIF
HKL
Paper
F6 K2 ReP -3 m 15.834; 5.834; 4.546
90; 90; 120
134Louis-Jean, James; Mariappan Balasekaran, Samundeeswari; Smith, Dean; Salamat, Ashkan; Pham, Chien Thang; Poineau, Frederic
Syntheses, Raman spectroscopy and crystal structures of alkali hexafluoridorhenates(IV) revisited
Acta Crystallographica Section E, 2018, 74, 646-649
2242481 CIF
HKL
Paper
F6 Rb2 ReP -3 m 15.9926; 5.9926; 4.7177
90; 90; 120
146.72Louis-Jean, James; Mariappan Balasekaran, Samundeeswari; Smith, Dean; Salamat, Ashkan; Pham, Chien Thang; Poineau, Frederic
Syntheses, Raman spectroscopy and crystal structures of alkali hexafluoridorhenates(IV) revisited
Acta Crystallographica Section E, 2018, 74, 646-649
2242482 CIF
HKL
Paper
Cs2 F6 ReP -3 m 16.268; 6.268; 4.931
90; 90; 120
167.77Louis-Jean, James; Mariappan Balasekaran, Samundeeswari; Smith, Dean; Salamat, Ashkan; Pham, Chien Thang; Poineau, Frederic
Syntheses, Raman spectroscopy and crystal structures of alkali hexafluoridorhenates(IV) revisited
Acta Crystallographica Section E, 2018, 74, 646-649
2242483 CIF
HKL
C37 H23 NP -19.2277; 10.6445; 14.639
105.169; 94.806; 113.255
1246.35Miao, Bao-Xi; Tang, Xin-Xue; Zhang, Li-Fang
Synthesis, crystal structure and aggregation-induced emission of a new pyrene-based compound, 3,3-diphenyl-2-[4-(pyren-1-yl)phenyl]acrylonitrile
Acta Crystallographica Section E, 2018, 74, 638-641
2242484 CIF
HKL
Paper
C20 H18 N2 O2C 1 2/c 135.1343; 7.2564; 13.145
90; 95.553; 90
3335.57Ghichi, Nadir; Benboudiaf, Ali; Bensouici, Chawki; DJebli, Yacine; Merazig, Hocine
(<i>E</i>)-2-{[(2-Aminophenyl)imino]methyl}-5-(benzyloxy)phenol and (<i>Z</i>)-3-benzyloxy-6-{[(5-chloro-2-hydroxyphenyl)amino]methylidene}cyclohexa-2,4-dien-1-one
Acta Crystallographica Section E, 2018, 74, 737-742
2242485 CIF
HKL
Paper
C20 H16 Cl N O3P -15.959; 7.871; 17.9743
98.381; 93.817; 90.294
832.11Ghichi, Nadir; Benboudiaf, Ali; Bensouici, Chawki; DJebli, Yacine; Merazig, Hocine
(<i>E</i>)-2-{[(2-Aminophenyl)imino]methyl}-5-(benzyloxy)phenol and (<i>Z</i>)-3-benzyloxy-6-{[(5-chloro-2-hydroxyphenyl)amino]methylidene}cyclohexa-2,4-dien-1-one
Acta Crystallographica Section E, 2018, 74, 737-742
2242486 CIF
HKL
C8 H10 Ba N2 O9 S2P 1 21/n 18.2086; 18.8899; 9.8999
90; 99.5197; 90
1513.94Nazarenko, Alexander Y.
Crystal structure of strontium and barium acesulafame (6-methyl-4-oxo-4<i>H</i>-1,2,3-oxathiazin-3-ide 2,2-dioxide)
Acta Crystallographica Section E, 2018, 74, 698-702
2242487 CIF
HKL
Paper
C8 H10 N2 O9 S2 SrP 1 21/n 17.9695; 18.5217; 9.731
90; 99.651; 90
1416.05Nazarenko, Alexander Y.
Crystal structure of strontium and barium acesulafame (6-methyl-4-oxo-4<i>H</i>-1,2,3-oxathiazin-3-ide 2,2-dioxide)
Acta Crystallographica Section E, 2018, 74, 698-702
2242488 CIF
HKL
Paper
C55 H51 Cl8 Ir O P4P 1 21/n 112.3477; 24.7472; 19.0123
90; 91.7; 90
5807.05Reitsamer, Christian; Schlapp-Hackl, Inge; Partl, Gabriel; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul
Crystal structure of an iridium(III) complex of the [C(dppm)~2~] PCP pincer ligand system and its conjugate CH acid form
Acta Crystallographica Section E, 2018, 74, 620-624
2242489 CIF
HKL
Paper
C52 H59 Cl5 Ir O6.5 P4P 1 21/n 119.7138; 22.7327; 25.312
90; 98.781; 90
11210.6Reitsamer, Christian; Schlapp-Hackl, Inge; Partl, Gabriel; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul
Crystal structure of an iridium(III) complex of the [C(dppm)~2~] PCP pincer ligand system and its conjugate CH acid form
Acta Crystallographica Section E, 2018, 74, 620-624
2242490 CIF
HKL
Paper
C6 H13 N O2P 1 21 19.6757; 5.2885; 28.0136
90; 98.3; 90
1418.44Curland, Sofia; Meirzadeh, Elena; Diskin-Posner, Yael
Crystal structure of a new polymorph of (2<i>S</i>,3<i>S</i>)-2-amino-3-methylpentanoic acid
Acta Crystallographica Section E, 2018, 74, 776-779
2242491 CIF
HKL
Paper
C28 H25 N OP -18.0535; 9.0457; 15.352
106.553; 101.572; 94.385
1039.6Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana
Molecular structure, DFT studies and Hirshfeld analysis of anthracenyl chalcone derivatives
Acta Crystallographica Section E, 2018, 74, 780-785
2242492 CIF
HKL
C35 H25 N OC 1 2/c 131.2875; 9.047; 18.3643
90; 99.388; 90
5128.5Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana
Molecular structure, DFT studies and Hirshfeld analysis of anthracenyl chalcone derivatives
Acta Crystallographica Section E, 2018, 74, 780-785
2242493 CIF
HKL
Paper
C72 H82 Hg N12 Se6C 1 2/c 112.7788; 27.276; 20.18
90; 95.591; 90
7000.4Rani, Varsha; Singh, Harkesh B.; Butcher, Ray J.
Synthesis and structure of an arylselenenium(II) cation, [C~34~H~41~N~4~Se^+^]~2~[Hg(SeCN)~4~]^2{-^}, based on a 5-<i>tert</i>-butyl-1,3-bis(1-pentyl-1<i>H</i>-benzimidazol-2-yl)benzene scaffold
Acta Crystallographica Section E, 2018, 74, 786-790
2242494 CIF
HKL
Paper
C30 H17 O11 P Ru3 SP -19.6922; 12.7459; 13.603
103.301; 102.938; 91.771
1587.83bin Shawkataly, Omar; Abdelnasir, Hafiz Malik Hussien; Sirat, Siti Syaida; Jotani, Mukesh M.; Tiekink, Edward R. T.
Undecacarbonyl[(4-methylsulfanylphenyl)diphenylphosphane]triruthenium(0): crystal structure and Hirshfeld surface analysis
Acta Crystallographica Section E, 2018, 74, 791-795
2242495 CIF
HKL
Paper
C52.59 H45.18 Cl7.18 Fe2 P4C 1 2/c 19.7528; 23.6871; 23.6871
90; 100.541; 90
5379.7McNeil, Jr, Derek L.; Beckford, Daihlia J.; Kneebone, Jared L.; Carpenter, Stephanie H.; Brennessel, William W.; Neidig, Michael L.
Crystal structures of two new six-coordinate iron(III) complexes with 1,2-bis(diphenylphosphane) ligands
Acta Crystallographica Section E, 2018, 74, 803-807

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