Crystallography Open Database

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7215170 CIFC11 H8 Hg I3 N3 OP 1 21/a 114.3544; 7.8891; 14.744
90; 99.842; 90
1645.1Khavasi, Hamid Reza; Tahrani, Alireza Azhdari
The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures
CrystEngComm, 2013, 15, 5799
7215259 CIFC54 H42 F6 N8 O15 Re2 S2P 1 21/a 112.1162; 27.444; 19.0654
90; 99.666; 90
6249.6Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.
An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation
CrystEngComm, 2014, 16, 4641
7215260 CIFC12 H9 Br N2 OP 1 21/a 112.8722; 4.9256; 17.571
90; 104.327; 90
1079.41Taylor, Rupert G. D.; Yeo, Benjamin R.; Hallett, Andrew J.; Kariuki, Benson M.; Pope, Simon J. A.
An organometallic complex revealing an unexpected, reversible, temperature induced SC‒SC transformation
CrystEngComm, 2014, 16, 4641
7215294 CIFC30 H14 N4 O8 S ZnP 1 21/a 117.615; 16.644; 19.66
90; 91.89; 90
5761Takashima, Yohei; Furukawa, Shuhei; Kitagawa, Susumu
Control of the charge-transfer interaction between a flexible porous coordination host and aromatic guests by framework isomerism
CrystEngComm, 2011, 13, 3360
7215460 CIFC16 H14 N4 S4P 1 21/a 111.0637; 7.2056; 22.927
90; 101.564; 90
1790.7Biet, Thomas; Avarvari, Narcis
Electroactive tetrathiafulvalene based pyridine-mono and -bis(1,2,3-triazoles) click ligands: synthesis, crystal structures and coordination chemistry
CrystEngComm, 2014, 16, 6612
7215498 CIFC38 H42 Cl2 Cu2 N10 O15P 1 21/a 115.0633; 14.5216; 21.9097
90; 95.005; 90
4774.32Kolotilov, Sergey V.; Cador, Olivier; Pointillart, Fabrice; Golhen, Stéphane; Le Gal, Yann; Gavrilenko, Konstantin S.; Ouahab, Lahcène
A new approach towards ferromagnetic conducting materials based on TTF-containing polynuclear complexes
Journal of Materials Chemistry, 2010, 20, 9505
7215907 CIFC9 H10 N O3 Pd0.5 S2P 1 21/a 18.3977; 11.2186; 12.207
90; 108.288; 90
1091.9Pérez, José; Serrano, J. Luis; da Silva, Ivan; Espinosa, Arturo; Pérez, Eduardo; García, Luis
Ligand hierarchy on driving the crystal packing. Effect of supramolecular interactions on solid-state conformations adopted by saccharinate Pd(ii) complexes
CrystEngComm, 2014, 16, 7124
7215910 CIFC20 H20 N6 O6 PdP 1 21/a 19.67234; 14.37138; 8.18547
90; 92.7327; 90
1136.53Pérez, José; Serrano, J. Luis; da Silva, Ivan; Espinosa, Arturo; Pérez, Eduardo; García, Luis
Ligand hierarchy on driving the crystal packing. Effect of supramolecular interactions on solid-state conformations adopted by saccharinate Pd(ii) complexes
CrystEngComm, 2014, 16, 7124
7216072 CIFC4 H9 N3 O5 S ZnP 1 21/a 19.194; 11.037; 9.283
90; 107.528; 90
898.25Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.
The structural influence of ligand coordination and hydrogen bonding capabilities in the crystal engineering of metal thiosemicarbazide compounds with malonate
CrystEngComm, 2005, 7, 388
7216188 CIFC28 H16 Cl2 O2 SP 1 21/a 113.991; 10.2442; 15.5461
90; 99.564; 90
2197.2Ballie, Laura; Farrugia, Louis J.; MacNicol, David D.; MacSween, Ross
2,7-di-p-Chlorobenzoylnaphtho[2?3?-4 : 5]thiepin: a conformationally flexible new host molecule showing solvatochromic effects
CrystEngComm, 2004, 6, 326
7216194 CIFC38 H40 Cl4 Cu2 N6 O7P 1 21/a 111.766; 24.48; 14.315
90; 100.78; 90
4050.4Mukhopadhyay, Uday; Choquesillo-Lazarte, Duane; Niclós-Gutiérrez, Juan; Bernal, Ivan
A critical look on the nature of the intra-molecular interligand π,π-stacking interaction in mixed-ligand copper(II) complexes of aromatic side-chain amino acidates and α,α'-diimines
CrystEngComm, 2004, 6, 627-632
7216312 CIFC15 H14 Cl N3 O4 S3P 1 21/a 110.726; 9.0275; 18.333
90; 97.24; 90
1761Prabakaran, Ponraj; Umadevi, Balakrishnan; Panneerselvam, Pathus; Muthiah, Packianathan Thomas; Bocelli, Gabriele; Righi, Lara
Conformational pseudo-polymorphism and hydrogen bonding: benzthiazide anhydrate and monohydrate, an antihypertensive drug
CrystEngComm, 2003, 5, 487
7216582 CIFC2 H8 N6 Ni S2P 1 21/a 16.057; 6.941; 9.381
90; 94.5; 90
393.18Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.
Structural manipulation through selective substitution of hydrogen bonding groups: the supramolecular structures of bis(thiosemicarbazidato)nickel complexes
CrystEngComm, 2002, 4, 539
7216874 CIFC11 H9 Cl3 O2P 1 21/a 19.751; 18.486; 14.7287
90; 115.759; 90
2391.1Yokoyama, Ryuji; Ito, Shunji; Watanabe, Masataka; Harada, Nobuyuki; Kabuto, Chizuko; Morita, Noboru
[2 + 2] Cycloaddition reaction of cycloheptatriene with dichloroketene. A novel and efficient synthetic strategy for the synthesis of 2-hydroxyazulene
Journal of the Chemical Society, Perkin Transactions 1, 2001, 2257
7216890 CIFC21 H22 I6 O7P 1 21/a 113.818; 16.4; 14.252
90; 106.1; 90
3103Anelli, Pier Lucio; Brocchetta, Marino; Maffezzoni, (the late) Costantino; Paoli, Paola; Rossi, Patrizia; Uggeri, Fulvio; Visigalli, Massimo
Syntheses and X-ray crystal structures of derivatives of 2,2′,4,4′,6,6′-hexaiodobiphenyl
Journal of the Chemical Society, Perkin Transactions 1, 2001, 1175
7216950 CIFC7 H7 N OP 1 21/a 16.629; 12.996; 7.373
90; 109.78; 90
597.7Blockhuys, Frank; Hinchley, Sarah L.; Robertson, Heather E.; Blake, Alexander J.; McNab, Hamish; Despinoy, Xavier L. M.; Harris, Steven G.; Rankin, David W. H.
Pyrrolizin-3-one and its 1,2-dihydro derivative: structures of the free molecules determined by electron diffraction and ab initio calculations and in the crystal by X-ray diffractionElectronic supplementary information (ESI) available: further experimental data. See http://www.rsc.org/suppdata/p2/b1/b102475m/
Journal of the Chemical Society, Perkin Transactions 2, 2001, 2195
7216960 CIFC33 H41 F O2 S2P 1 21/a 118.3159; 8.4338; 20.4494
90; 104.829; 90
3053.66Moriguchi, Tetsuji; Inoue, Megumi; Yasutake, Mikio; Sinmyozu, Teruo; Sakata, Kazunori; Tsuge, Akihiko
Preparation and structural properties of dithia[3.3.1]metacyclophanes
Journal of the Chemical Society, Perkin Transactions 2, 2001, 2084
7217114 CIFC16 H31 F6 N2 PP 1 21/a 19.175; 9.849; 22.197
90; 94.13; 90
2000.6Gordon, Charles M.; Holbrey, John D.; Kennedy, Alan R.; Seddon, Kenneth R.
Ionic liquid crystals: hexafluorophosphate salts
Journal of Materials Chemistry, 1998, 8, 2627
7218388 CIFC10 H16 N3 O PP 1 21/a 18.9605; 10.9173; 12.2318
90; 102.135; 90
1169.83Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav
Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study
CrystEngComm, 2014, 16, 10870
7218389 CIFC12 H20 N3 O PP 1 21/a 19.3055; 10.8856; 12.9523
90; 93.386; 90
1309.73Pourayoubi, Mehrdad; Toghraee, Maryam; Zhu, Jianfeng; Dušek, Michal; Bereciartua, Pablo J.; Eigner, Václav
Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and15N NMR study
CrystEngComm, 2014, 16, 10870
7218748 CIFC26 H30 N2 O2P 1 21/a 18.8404; 8.9886; 13.346
90; 94.802; 90
1056.79Ravat, Prince; Baumgarten, Martin
"Tschitschibabin type biradicals": benzenoid or quinoid?
Physical chemistry chemical physics : PCCP, 2015, 17, 983-991
7218750 CIFC10 H13 N OP 1 21/a 18.6143; 9.1073; 11.3382
90; 101.959; 90
870.21Ravat, Prince; Baumgarten, Martin
"Tschitschibabin type biradicals": benzenoid or quinoid?
Physical chemistry chemical physics : PCCP, 2015, 17, 983-991
7220453 CIFC77 H67 Cl2 N5 ZnP 1 21/a 117.737; 18.295; 19.069
90; 92.168; 90
6183.4Saegusa, Yuta; Ishizuka, Tomoya; Komamura, Keiyu; Shimizu, Soji; Kotani, Hiroaki; Kobayashi, Nagao; Kojima, Takahiko
Ring-fused porphyrins: extension of π-conjugation significantly affects the aromaticity and optical properties of the porphyrin π-systems and the Lewis acidity of the central metal ions.
Physical chemistry chemical physics : PCCP, 2015, 17, 15001-15011
7220454 CIFC71 H76 N4 O5 ZnP 1 21/a 119.126; 17.2247; 19.215
90; 93.303; 90
6319.7Saegusa, Yuta; Ishizuka, Tomoya; Komamura, Keiyu; Shimizu, Soji; Kotani, Hiroaki; Kobayashi, Nagao; Kojima, Takahiko
Ring-fused porphyrins: extension of π-conjugation significantly affects the aromaticity and optical properties of the porphyrin π-systems and the Lewis acidity of the central metal ions.
Physical chemistry chemical physics : PCCP, 2015, 17, 15001-15011
7220534 CIFC8 H2 Cd Cl2 O4P 1 21/a 17.882; 7.035; 16.863
90; 97.547; 90
927Neto, Brenno A. D.; Silva, Gabriel C.O.; Corrêa, José; Rodrigues, marcelo Oliveira; Alvim, Haline G. O.; Guido, Bruna C.; Gatto, Claudia C.; Wanderley, Kaline; Fioramonte, Mariana; Gozzo, Fabio Cesar; de Souza, Rodrigo Octavio M. A.
The Biginelli Reaction under Batch and Continuous Flow Conditions: Catalysis, Mechanism and Antitumoral Activity
RSC Adv., 2015
7220859 CIFC25 H32 Ga N S2P 1 21/a 18.0157; 25.291; 11.9431
90; 92.129; 90
2419.5Matsumoto, Takuya; Tanaka, Kazuo; Chujo, Yoshiki
High HOMO levels and narrow energy band gaps of dithienogalloles
RSC Adv., 2015, 5, 55406
7221663 CIFC26 H29 N3P 1 21/a 113.2115; 9.4084; 18.0693
90; 107.007; 90
2147.78Thériault, K D; Radford, C.; Parvez, M.; Heyne, B.; Sutherland, T. C.
Structure-property relationship of donor-acceptor acridones - an optical, electrochemical and computational study.
Physical chemistry chemical physics : PCCP, 2015, 17, 20903-20911
7221672 CIFC29 H21 B F2 N2 OP 1 21/a 115.823; 9.588; 17.462
90; 114.623; 90
2408Tan, Ronghua; Lin, Qifei; Wen, Ying; Xiao, Shuzhang; Wang, Sa; Zhang, Ronghua; Yi, Tao
Polymorphism and mechanochromic luminescence of a highly solid-emissive quinoline-β-ketone boron difluoride dye
CrystEngComm, 2015, 17, 6674
7222012 CIFC36 H27 N2 O3 P PdP 1 21/a 18.8683; 21.5484; 15.2026
90; 96.079; 90
2888.8ARUMUGAM, VIGNESH; Kaminsky, Werner; Nallasamy, Dharmaraj
ONO Pincer type Pd(II) complexes: Synthesis, crystal structure and catalytic activity towards C-2 arylation of quinoline scaffolds
RSC Adv., 2015
7222295 CIFC13 H13 N3 O2 SP 1 21/a 17.4145; 16.0955; 11.8314
90; 105.632; 90
1359.7Arshad, Muhammad Nadeem; Rahman, Mohammed M.; Asiri, Abdullah M.; Sobahi, Tariq R.; Yu, Shu-Hong
Development of Hg2+sensor based on N′-[1-(pyridin-2-yl)ethylidene]benzenesulfono-hydrazide (PEBSH) fabricated silver electrode for environmental remediation
RSC Adv., 2015, 5, 81275
7222367 CIFC92.5 H134.25 F8.25 N O17.75P 1 21/a 122.59; 16.93; 25.77
90; 92.54; 90
9846Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia
α,ω-Alkanediyldiammonium dications sealed within calix[5]arene capsules with a hydrophobic bayonet-mount fastening
CrystEngComm, 2015, 17, 7915
7222937 CIFAs7 Cs3 H3 NP 1 21/a 127.59; 7.441; 7.515
90; 90.16; 90
1542.8Somer, M.; Hoenle, W.; von Schnering, H. G.
Darstellung, Kristallstruktur und Schwingungsspektren von Cs3As7 und Cs3(NH3)As7
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1989, 44, 296-306
7222956 CIFCs2 O12 U2 V2P 1 21/a 110.521; 8.4369; 7.308
90; 106.08; 90
623.312Dickens, P.G.; Stuttard, G.P.; Ball, R.G.J.; Patat, S.; Hull, S.; Powell, A.V.
Powder neutron diffraction study of the mixed uraniumvanadium oxides Cs2(UO2)2(V2O8) and UVO5
Journal of Materials Chemistry, 1992, 2, 161-166
7222963 CIFN2 Pd S6P 1 21/a 17.14; 8.99; 12.165
90; 96.3; 90
776.139Weiss, J.; Neubert, H.S.
Zur Kenntnis der Metall-Schwefelstickstoff-Verbindungen IV. Die Struktur von (Pd (N S3)2)
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1966, 21, 286-287
7223301 CIFC36 H27 N O3P 1 21/a 118.295; 8.6639; 19.269
90; 115.79; 90
2750Cappelli, Andrea; Razzano, Vincenzo; Fabio, Giuseppe; Paolino, Marco; Grisci, Giorgio; Giuliani, Germano; Donati, Alessandro; Mendichi, Raniero; Mróz, Wojciech; Villafiorita-Monteleone, Francesca; Botta, chiara
Side Chain Engineering in π-Stacked Polybenzofulvene Derivatives Bearing Electron-Rich Chromophores for OLED Applications
RSC Adv., 2015
7223566 CIFC35 H30.5 Cd2 N6 O10.25P 1 21/a 116.095; 16.492; 16.308
90; 118.02; 90
3821.4Han, Shan-Shan; Shi, Lu-Lu; Li, Ke; Zhao, Shan; Li, Bao-Long; Wu, Bing
Syntheses, structures and luminescence of a series of coordination polymers constructed with 4-substituted 1,2,4-triazole and biscarboxylate co-ligands
RSC Adv., 2015, 5, 107166
7223567 CIFC33 H24 Cd2 N8 O14P 1 21/a 115.964; 16.319; 16.578
90; 118.02; 90
3812.6Han, Shan-Shan; Shi, Lu-Lu; Li, Ke; Zhao, Shan; Li, Bao-Long; Wu, Bing
Syntheses, structures and luminescence of a series of coordination polymers constructed with 4-substituted 1,2,4-triazole and biscarboxylate co-ligands
RSC Adv., 2015, 5, 107166
7223676 CIFCl10 N6 S8 Se2P 1 21/a 18.175; 17.904; 8.432
90; 104.31; 90
1195.86Stammler, H.G.; Weiss, J.
Synthese und Kristallstruktur von (S4N3)2Se2Cl10 , (S4N3)2Se2Cl6 und ((S4N3)SeCl5)n
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1989, 44, 1483-1487
7223912 CIFC21 H16 N2 O8P 1 21/a 124.5332; 5.2575; 22.0935
90; 112.626; 90
2630.37Vasisht, Karan; chadha, kunal; Karan, Maninder; Chadha, Renu; Bhalla, Yashika; Jena, Ashish
Enhancing biopharmaceutical parameters of bioflavonoid quercetin by cocrystallization.
CrystEngComm, 2016
7224132 CIFC36 H50 O6 S2P 1 21/a 114.1458; 7.2193; 17.4712
90; 98.5591; 90
1764.34Bowen, Alice M.; Jones, Michael W.; Lovett, Janet E.; Gaule, Thembanikosi G.; McPherson, Michael J.; Dilworth, Jonathan R.; Timmel, Christiane R.; Harmer, Jeffrey R.
Exploiting orientation-selective DEER: determining molecular structure in systems containing Cu(ii) centres.
Physical chemistry chemical physics : PCCP, 2016, 18, 5981-5994
7224732 CIFC9 H9 N3 O2 S2P 1 21/a 115.488; 8.481; 17.387
90; 112.763; 90
2106Shi, X.; El Hassan, N.; Ikni, A.; Li, W.; Guiblin, N.; Spasojević de-Biré, A.; Ghermani, N. E.
Experimental electron densities of neutral and zwitterionic forms of the drug piroxicam
CrystEngComm, 2016, 18, 3289
7225216 CIFC54 H34 F6 Ir N3 O5P 1 21/a 119.19; 10.3544; 23.935
90; 101.528; 90
4660Okamura, Naoki; Nakamura, Taiyo; Yagi, Shigeyuki; Maeda, Takeshi; Nakazumi, Hiroyuki; Fujiwara, Hideki; Koseki, Shiro
Novel bis- and tris-cyclometalated iridium(III) complexes bearing a benzoyl group on each fluorinated 2-phenylpyridinate ligand aimed at development of blue phosphorescent materials for OLED
RSC Adv., 2016
7225690 CIFC13 H11 Cl2 N O4P 1 21/a 111.3192; 10.2762; 11.7534
90; 100.198; 90
1345.54Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.
High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines
CrystEngComm, 2016, 18, 5697
7225691 CIFC13 H11 Cl2 N O4P 1 21/a 111.3192; 10.2762; 11.7534
90; 100.198; 90
1345.54Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.
High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines
CrystEngComm, 2016, 18, 5697
7225868 CIFC12 H6 Cd N4 O3P 1 21/a 110.2092; 8.5034; 13.885
90; 98.655; 90
1191.7Chen, Xi; Zhang, Biquan; Yu, Fan; Su, Min; Qin, Wenming; Li, Bao; Zhuang, Gui-lin; Zhang, Tianle
Synthesis, crystal structure and luminescence studies of zinc(ii) and cadmium(ii) complexes with 6-(1H-tetrazol-5-yl)-2-naphthoic acid
CrystEngComm, 2016, 18, 6396
7226008 CIFC60 H36 S4P 1 21/a 19.6722; 26.7274; 11.2684
90; 106.882; 90
2787.5Yamada, Hiroko; Yamashita, Masataka; Hayashi, Hironobu; Suzuki, Mitsuharu; Kuzuhara, Daiki; Yuasa, Junpei; Kawai, Tsuyoshi; Aratani, Naoki
Bisanthra-thianthrene: synthesis, structure and oxidation properties
RSC Adv., 2016
7227050 CIFC24 H15 N6 O2P 1 21/a 17.3613; 37.7897; 7.9918
90; 115.71; 90
2003.08Sutton, Ashley L.; Abrahams, Brendan F.; D'Alessandro, Deanna M.; Hudson, Timothy A.; Robson, Richard; Usov, Pavel M.
Structural and optical investigations of charge transfer complexes involving the radical anions of TCNQ and F4TCNQ
CrystEngComm, 2016, 18, 8906
7227165 CIFC26 H29 Cl2 N5 O3P 1 21/a 124.1866; 8.1122; 13.0215
90; 91.868; 90
2553.55Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal
Rationalization of the formation and stability of bosutinib solvated forms
CrystEngComm, 2016, 18, 9260
7227254 CIFC26 H34 N4 O4P 1 21/a 18.6751; 11.2503; 13.3424
90; 94.681; 90
1297.84Leblanc, Nicolas; Genovese, Damiano; De Cola, Luisa; Powell, Annie K.
A platform with connections in many directions - further remarkable facets to the multifaceted methylbiquinoxen dication.
Physical chemistry chemical physics : PCCP, 2017, 19, 6981-6988
7227255 CIFC22 H26 N4 O2P 1 21/a 18.829; 11.313; 10.403
90; 107.834; 90
989.1Leblanc, Nicolas; Genovese, Damiano; De Cola, Luisa; Powell, Annie K.
A platform with connections in many directions - further remarkable facets to the multifaceted methylbiquinoxen dication.
Physical chemistry chemical physics : PCCP, 2017, 19, 6981-6988

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