Crystallography Open Database

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7226497 CIFC15 H12 Cl2 O3P b c a7.1786; 20.0394; 20.1954
90; 90; 90
2905.2Zeng, Xianghua; Gong, Chunhua; Zhang, Junyong; Xie, Jingli
A simple and highly diasteroselective approach for the vicinal dichlorination of functional olefins
RSC Adv., 2016, 6, 85182
7226401 CIFC15 H13 N3 O4 SP 1 21/c 17.034; 14.9894; 13.8939
90; 96.387; 90
1455.82Du, Jonathan J.; Váradi, Linda; Williams, Peter A.; Groundwater, Paul W.; Overgaard, Jacob; Platts, James A.; Hibbs, David E.
An analysis of the experimental and theoretical charge density distributions of the piroxicam‒saccharin co-crystal and its constituents
RSC Adv., 2016, 6, 81578
7226202 CIFC15 H14 O5P 1 21/n 13.8416; 25.1212; 12.9636
90; 92.567; 90
1249.8Rao, Maddali L. N.; Ramakrishna, Boddu S.
Rh-catalyzed direct synthesis of 2,2′-dihydroxybenzophenones and xanthones
RSC Adv., 2016, 6, 75505
7236257 CIFC15 H15 Cl F N O3P 1 21/n 110.3931; 11.4141; 12.5948
90; 100.798; 90
1467.64Sharma, Chiranjeev; Singh, Ashawani K.; Joy, Jyothish; Jemmis, Eluvathingal D.; Awasthi, Satish K.
Experimental and theoretical study of intramolecular O⋯O interaction in structurally rigid β-keto carboxylic esters
RSC Advances, 2016, 6, 91689
7226069 CIFC15 H16 N O P S3P 1 21/n 17.4515; 11.579; 19.631
90; 97.168; 90
1680.5Groves, Brandon R.; Smithen, Deborah A.; Cameron, T. Stanley; Thompson, Alison
Thionation reactions of 2-pyrrole carboxylates
RSC Adv., 2016, 6, 69691
7236260 CIFC15 H18 Cl N O4P 21 21 216.2728; 9.4396; 26.241
90; 90; 90
1553.8Sharma, Chiranjeev; Singh, Ashawani K.; Joy, Jyothish; Jemmis, Eluvathingal D.; Awasthi, Satish K.
Experimental and theoretical study of intramolecular O⋯O interaction in structurally rigid β-keto carboxylic esters
RSC Advances, 2016, 6, 91689
7226071 CIFC15 H19 B F2 N2P 1 21/n 17.2351; 16.6785; 11.8701
90; 98.682; 90
1416Groves, Brandon R.; Smithen, Deborah A.; Cameron, T. Stanley; Thompson, Alison
Thionation reactions of 2-pyrrole carboxylates
RSC Adv., 2016, 6, 69691
7224892 CIFC15 H21 Mn N5 O2 S2P 110.1382; 11.3567; 14.0782
103.348; 110.85; 101.57
1400.79Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk
Structural and magnetic properties of heptacoordinated MnIIcomplexes containing a 15-membered pyridine-based macrocycle and halido/pseudohalido axial coligands
RSC Adv., 2016, 6, 34674
7225035 CIFC15 H21 N O2P 1 21 112.3508; 12.2285; 17.9527
90; 94.4756; 90
2703.16Zhang, Li-Hua; Feng, Bao-Min; Chen, Gang; Li, Sheng-Ge; Sun, Yi; Wu, Hong-Hua; Bai, Jiao; Hua, Hui-Ming; Wang, Hai-Feng; Pei, Yue-Hu
Sporulaminals A and B: a pair of unusual epimeric spiroaminal derivatives from a marine-derived fungus Paraconiothyrium sporulosum YK-03
RSC Adv., 2016, 6, 42361
7226953 CIFC15 H25 O2.5 PdC 1 2/c 124.443; 5.4443; 23.838
90; 111.49; 90
2951.7Assim, K.; Melzer, M.; Korb, M.; Rüffer, T.; Jakob, A.; Noll, J.; Georgi, C.; Schulz, S. E.; Lang, H.
Bis(β-diketonato)- and allyl-(β-diketonato)-palladium(ii) complexes: synthesis, characterization and MOCVD application
RSC Adv., 2016, 6, 102557
7226580 CIFC15 H26 N2 S4P -18.8763; 10.0172; 11.405
87.26; 74.873; 76.569
952.1Bharty, M. K.; Nath, Paras; Singh, Nand Kishor; Maiti, Biswajit; Bharty, A.; Butcher, R. J; Wikaira, Jan L.
Ag(I), Cu(II), Co(III), Hg(II) complexes and metal assisted products derived from 4-methyl-piperidine-carbodithioate: Synthesis, structures, thermal analysis, redox behaviour and fluorescence properties
RSC Advances, 2016, 6, 93867-93880
7236270 CIFC15 H5 Cl4 N2 O3 ReP 1 21/c 16.6848; 20.9252; 12.6551
90; 100.71; 90
1739.4Świtlicka, Anna; Klemens, Tomasz; Machura, Barbara; Schab-Balcerzak, Ewa; Laba, Katarzyna; Lapkowski, Mieczyslaw; Grucela, Marzena; Nycz, Jacek; Szala, Marcin; Kania, Magdalena
Rhenium(i) complexes with phenanthrolines bearing electron-withdrawing Cl and electron-donating CH3 substituents ‒ synthesis, photophysical, thermal, and electrochemical properties with electroluminescence ability
RSC Advances, 2016, 6, 112908
7236190 CIFC16 H12 B F2 N O3P 1 21/n 17.7022; 8.6623; 21.644
90; 99.29; 90
1425.1Zhang, Zhenqi; Wu, Zhu; Sun, Jingbo; Xue, Pengchong; Lu, Ran
Multi-color solid-state emission of β-iminoenolate boron complexes tuned by methoxyl groups: aggregation-induced emission and mechanofluorochromism
RSC Advances, 2016, 6, 43755
7236191 CIFC16 H12 B F2 N O3P 1 21/n 17.1557; 8.6916; 22.455
90; 92.46; 90
1395.3Zhang, Zhenqi; Wu, Zhu; Sun, Jingbo; Xue, Pengchong; Lu, Ran
Multi-color solid-state emission of β-iminoenolate boron complexes tuned by methoxyl groups: aggregation-induced emission and mechanofluorochromism
RSC Advances, 2016, 6, 43755
7236192 CIFC16 H12 B F2 N O3P 1 21/n 17.1368; 15.475; 13.122
90; 103.1; 90
1411.5Zhang, Zhenqi; Wu, Zhu; Sun, Jingbo; Xue, Pengchong; Lu, Ran
Multi-color solid-state emission of β-iminoenolate boron complexes tuned by methoxyl groups: aggregation-induced emission and mechanofluorochromism
RSC Advances, 2016, 6, 43755
7226612 CIFC16 H12 Cl N O2 SC 1 c 123.6442; 4.2788; 14.2732
90; 90.614; 90
1443.92Parthiban, C.; Ciattini, Samuele; Chelazzi, Laura; Elango, Kuppanagounder P.
Selective colorimetric sensing of fluoride in an aqueous solution by amino-naphthoquinone and its Co(ii), Ni(ii), Cu(ii) and Zn(ii) complexes ‒ effect of complex formation on sensing behaviour
RSC Adv., 2016, 6, 91265
7236252 CIFC16 H13 B F2 N2 O2P 1 21/c 110.1732; 7.3747; 19.0117
90; 94.747; 90
1421.4Mtiraoui, Hasan; Gharbi, Rafik; Msaddek, Moncef; Bretonnière, Yann; Andraud, Chantal; Renard, Pierre-Yves; Sabot, Cyrille
Solution and solid-state fluorescence of 2-(2′-hydroxyphenyl)-1,5-benzodiazepin-2-one (HBD) borate complexes
RSC Advances, 2016, 6, 86352
7226398 CIFC16 H15 N O5P 1 21/c 18.3195; 13.6469; 12.8427
90; 90; 90
1458.1Bautista Maezono, Shizuka Mei; Poudel, Tej Narayan; Xia, Likai; Lee, Yong Rok
A green synthetic approach to synthesizing diverse 2-pyridones for their exceptional UV shielding functions
RSC Adv., 2016, 6, 82321
7223607 CIFC16 H16 N2 O5P -17.3305; 10.614; 11.3269
67.359; 80.119; 81.565
798.16da Silva, Michael J. V.; Silva, Raí G. M.; Melo, Ulisses Z.; Gonçalves, Davana S.; Back, Davi F.; Moura, Sidnei; Pontes, Rodrigo M.; Basso, Ernani A.; Gauze, Gisele F.; Rosa, Fernanda A.
Theoretical and experimental investigation of the polyeletrophilic β-enamino diketone: straightforward and highly regioselective synthesis of 1,4,5-trisubstituted pyrazoles and pyrazolo[3,4-d]pyridazinones
RSC Adv., 2016, 6, 290
7224164 CIFC16 H17 N3 O5P 1 21/c 115.2726; 11.581; 9.1189
90; 95.023; 90
1606.68Oruganti, Madhavi; Khade, Pavan; Das, Uttam Kumar; Trivedi, Darshak R.
The hierarchies of hydrogen bonds in salts/cocrystals of isoniazid and its Schiff base ‒ a case study
RSC Adv., 2016, 6, 15868
7225172 CIFC16 H17 O6.5P 1 21 17.0996; 17.4669; 11.5838
90; 96.25; 90
1427.95Luo, Qi; Di, Lei; Yang, Xiao-Hua; Cheng, Yong-Xian
Applanatumols A and B, meroterpenoids with unprecedented skeletons from Ganoderma applanatum
RSC Adv., 2016, 6, 45963
7224166 CIFC16 H18 N4 O3P 1 21/c 18.7707; 20.4025; 9.1687
90; 100.514; 90
1613.14Oruganti, Madhavi; Khade, Pavan; Das, Uttam Kumar; Trivedi, Darshak R.
The hierarchies of hydrogen bonds in salts/cocrystals of isoniazid and its Schiff base ‒ a case study
RSC Adv., 2016, 6, 15868
7236259 CIFC16 H21 N O6P 1 21/c 14.5426; 16.585; 22.273
90; 92.979; 90
1675.8Sharma, Chiranjeev; Singh, Ashawani K.; Joy, Jyothish; Jemmis, Eluvathingal D.; Awasthi, Satish K.
Experimental and theoretical study of intramolecular O⋯O interaction in structurally rigid β-keto carboxylic esters
RSC Advances, 2016, 6, 91689
7226952 CIFC16 H22 O4 PdP b c a14.4316; 6.5451; 15.6537
90; 90; 90
1478.59Assim, K.; Melzer, M.; Korb, M.; Rüffer, T.; Jakob, A.; Noll, J.; Georgi, C.; Schulz, S. E.; Lang, H.
Bis(β-diketonato)- and allyl-(β-diketonato)-palladium(ii) complexes: synthesis, characterization and MOCVD application
RSC Adv., 2016, 6, 102557
7224981 CIFC16 H28 N6P -16.912; 8.356; 8.844
110.9; 97.94; 111.5
422.2Hornung, Julius; Hübner, Olaf; Kaifer, Elisabeth; Himmel, Hans-Jörg
Bent and twisted: the electronic structure of 2-azapropenylium ions obtained by guanidine oxidation
RSC Adv., 2016, 6, 39323
7236206 CIFC16 H8 S3C 1 2/c 115.042; 11.404; 32.856
90; 95.094; 90
5614Huang, Wei; Zhu, Haoyun; Huang, Yuli; Yang, Junwei; Wang, Weizhi
Controllable synthesis of conjugated thio-phenylethyne-based compounds with different chain lengths
RSC Advances, 2016, 6, 40343
7236271 CIFC17 H10 Cl2 N3 O3 ReP -18.3105; 9.7851; 12.3202
84.319; 85.261; 67.529
920.16Świtlicka, Anna; Klemens, Tomasz; Machura, Barbara; Schab-Balcerzak, Ewa; Laba, Katarzyna; Lapkowski, Mieczyslaw; Grucela, Marzena; Nycz, Jacek; Szala, Marcin; Kania, Magdalena
Rhenium(i) complexes with phenanthrolines bearing electron-withdrawing Cl and electron-donating CH3 substituents ‒ synthesis, photophysical, thermal, and electrochemical properties with electroluminescence ability
RSC Advances, 2016, 6, 112908
7236043 CIFC17 H13 F3 N4 OP -114.1362; 14.3909; 18.0057
66.933; 67.968; 89.57
3081.9Sosnovskikh, Vyacheslav Y.; Safrygin, Alexander V.; Irgashev, Roman A.; Ezhikova, Marina A.; Kodess, Mikhail I.
Synthesis of 4-arylamino-3-(trifluoromethyl)pyridazines and pyridazino[3,4-b]quinoxalines (as by-products) from 3-aroylmethyl-2-(trifluoromethyl)quinoxalines and hydrazine hydrate
RSC Advances, 2016, 6, 30056
7236193 CIFC17 H14 B F2 N O4P 1 21/n 18.6901; 8.0756; 22.705
90; 100.06; 90
1568.9Zhang, Zhenqi; Wu, Zhu; Sun, Jingbo; Xue, Pengchong; Lu, Ran
Multi-color solid-state emission of β-iminoenolate boron complexes tuned by methoxyl groups: aggregation-induced emission and mechanofluorochromism
RSC Advances, 2016, 6, 43755
7236194 CIFC17 H14 B F2 N O4P 1 21/c 17.7008; 11.481; 18.166
90; 104.52; 90
1554.8Zhang, Zhenqi; Wu, Zhu; Sun, Jingbo; Xue, Pengchong; Lu, Ran
Multi-color solid-state emission of β-iminoenolate boron complexes tuned by methoxyl groups: aggregation-induced emission and mechanofluorochromism
RSC Advances, 2016, 6, 43755
7236234 CIFC17 H18 O3P 1 21/c 111.954; 9.278; 12.604
90; 93.422; 90
1395.4Hu, Jiadong; Xu, Dongyang; Zhang, Qiang; Shang, Yang; Shi, Mumin; Huangfu, Yucui; Liu, Leilei; Rong liang, Rong liang; Lai, Yisheng; He, Yupeng; Gao, Jin-ming; Xie, Weiqing
Tandem allylic alcohol isomerization/oxo-Michael addition reaction promoted by Re2O7
RSC Advances, 2016, 6, 52583
7236245 CIFC17 H24 N4 O2 S2P 1 21/c 18.4757; 23.0572; 9.7935
90; 103.534; 90
1860.8Leeza Zaidi, Saadia; Agarwal, Subhash M.; Chavalitshewinkoon-Petmitr, Porntip; Suksangpleng, Thidarat; Ahmad, Kamal; Avecilla, Fernando; Azam, Amir
Thienopyrimidine sulphonamide hybrids: design, synthesis, antiprotozoal activity and molecular docking studies
RSC Advances, 2016, 6, 90371
7227171 CIFC17.05 H16.14 I N O SP 1 21/c 17.4292; 10.7679; 20.5682
90; 90; 90
1645.39Mekhzoum, M. E. M.; Essassi, E. M.; Qaiss, A.; Bouhfid, R.
Fluorescent bio-nanocomposites based on chitosan reinforced hemicyanine dye-modified montmorillonite
RSC Adv., 2016, 6, 111472
7226965 CIFC179 H236 Cl2 O135 S20 Yb4.67P -117.214; 18.887; 20.574
77.93; 70.96; 75.49
6062Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.
Functional heterocyclic molecular inclusion in p-sulfonatocalix[5]arene and lanthanide(iii) complexes
RSC Adv., 2016, 6, 102695
7223991 CIFC18 H10 N4C 1 2/c 122.8914; 5.7531; 23.238
90; 113.464; 90
2807.3Bhowmick, Sourav; Chakraborty, Sourav; Marri, Subba R.; Behera, J. N.; Das, Neeladri
Pyrazine-based donor tectons: synthesis, self-assembly and characterization
RSC Adv., 2016, 6, 8992
7224681 CIFC18 H12 Cl F3 O3P 21 21 217.997; 11.806; 17.95
90; 90; 90
1694.7He, Xiang-Hong; Yang, Lei; Huang, Wei; Zhao, Qian; Pan, Xiao-Li; Jiang, Dao-Feng; Yang, Ming-Cheng; Peng, Cheng; Han, Bo
Catalytic cross-benzoin/Michael/acetalization cascade for asymmetric synthesis of trifluoromethylated γ-butyrolactones
RSC Adv., 2016, 6, 28960
7236269 CIFC18 H12 Cl3 N2 O3 ReP 1 21/n 110.8752; 32.4799; 10.9891
90; 98.199; 90
3842Świtlicka, Anna; Klemens, Tomasz; Machura, Barbara; Schab-Balcerzak, Ewa; Laba, Katarzyna; Lapkowski, Mieczyslaw; Grucela, Marzena; Nycz, Jacek; Szala, Marcin; Kania, Magdalena
Rhenium(i) complexes with phenanthrolines bearing electron-withdrawing Cl and electron-donating CH3 substituents ‒ synthesis, photophysical, thermal, and electrochemical properties with electroluminescence ability
RSC Advances, 2016, 6, 112908
7226518 CIFC18 H14 B F2 N O SP b c a10.661; 11.234; 25.712
90; 90; 90
3079.4Shanmugapriya, Jayabalan; Rajaguru, Kandasamy; Sivaraman, Gandhi; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai
Boranil dye based “turn-on” fluorescent probes for detection of hydrogen peroxide and their cell imaging application
RSC Adv., 2016, 6, 85838
7224752 CIFC18 H17 N3 O4P -112.0002; 12.0002; 24.7801
93.67; 93.67; 103.706
3448.2Sharma, Pankaj; Gupta, Monika; Kant, Rajni; Gupta, Vivek K.
One-pot synthesis of various 2-amino-4H-chromene derivatives using a highly active supported ionic liquid catalyst
RSC Adv., 2016, 6, 32052
7227087 CIFC18 H18 Cl N OP -15.8282; 10.3586; 13.2061
77.465; 86.009; 76.595
756.91Young, Jonathon; Schäfer, Christian; Solan, Agnes; Baldrica, Anthony; Belcher, Miranda; Nişanci, Bilal; Wheeler, Kraig A.; R. Trivedi, Evan; Török, Béla; Dembinski, Roman
Regioselective “hydroamination” of alk-3-ynones with non-symmetrical o-phenylenediamines. Synthesis of diversely substituted 3H-1,5-benzodiazepines via (Z)-3-amino-2-alkenones
RSC Adv., 2016, 6, 107081
7227172 CIFC18 H18 I N O SP -17.7022; 10.3394; 11.3339
97.09; 99.284; 91.95
882.61Mekhzoum, M. E. M.; Essassi, E. M.; Qaiss, A.; Bouhfid, R.
Fluorescent bio-nanocomposites based on chitosan reinforced hemicyanine dye-modified montmorillonite
RSC Adv., 2016, 6, 111472
7224852 CIFC18 H20 Ag2 N10 O6.25C 1 2/c 122.5787; 9.4591; 12.7032
90; 118.015; 90
2395.2Ding, Bin; Guo, Chao; Liu, Shi Xin; Cheng, Yue; Wu, Xiang Xia; Su, Xiu Mei; Liu, Yuan Yuan; Li, Yan
A unique multi-functional cationic luminescent metal‒organic nanotube for highly sensitive detection of dichromate and selective high capacity adsorption of Congo red
RSC Adv., 2016, 6, 33888
7236272 CIFC18 H20 N5 O14 Y ZnP 1 21/n 17.8023; 19.2183; 16.1293
90; 91.994; 90
2417.07Long, Jérôme; Mamontova, Ekaterina; Freitas, Vania; Luneau, Dominique; Vieru, Veacheslav; Chibotaru, Liviu F.; Ferreira, Rute A. S.; Félix, Gautier; Guari, Yannick; Carlos, Luis D.; Larionova, Joulia
Study of the influence of magnetic dilution over relaxation processes in a Zn/Dy single-ion magnet by correlation between luminescence and magnetism
RSC Advances, 2016, 6, 108810
7223771 CIFC18 H22 K N O5 SP 1 21/c 123.671; 8.6038; 9.53
90; 99.236; 90
1915.7Cardona, Maria A.; Mallia, Carl J.; Baisch, Ulrich; Magri, David C.
Water-soluble amino(ethanesulfonate) and [bis(ethanesulfonate)] anthracenes as fluorescent photoinduced electron transfer (PET) pH indicators and Fe3+chemosensors
RSC Adv., 2016, 6, 3783
7224546 CIFC18 H24 Cl Cu N5 O4 SC 1 2/c 124.526; 10.497; 16.882
90; 95.056; 90
4329Mohamed Subarkhan, M.; Prabhu, R. N.; Raj Kumar, R.; Ramesh, R.
Antiproliferative activity of cationic and neutral thiosemicarbazone copper(ii) complexes
RSC Adv., 2016, 6, 25082
7224162 CIFC183 H190 N24 O64 S8C 1 2/c 121.5619; 11.3649; 18.9777
90; 93.367; 90
4642.4Lega, Dmitry A.; Gorobets, Nikolay Yu.; Chernykh, Valentine P.; Shishkina, Svetlana V.; Shemchuk, Leonid A.
Peculiarities of 2-amino-3-R-4-aryl-4H-pyranes multicomponent synthesis derived from 1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide
RSC Adv., 2016, 6, 16087
7226490 CIFC185 H183.72 N15 O39P 1 21/c 124.9088; 7.7954; 22.8886
90; 103.302; 90
4325.1Liang, Lijuan; Zhao, Liancheng; Zeng, Xianshun
Synthesis, optical, and chemical properties of a π-extended rhodol derivative and its derivatives with selectivity and sensitivity for sensing Hg2+in aqueous media
RSC Adv., 2016, 6, 85165
7225591 CIFC19 H12 F N3P 1 21/n 112.6875; 6.8467; 33.0184
90; 95.813; 90
2853.48Harsha, Kachigere B.; Rangappa, Kanchugarkoppal S.
One-step approach for the synthesis of functionalized quinoxalines mediated by T3P®‒DMSO or T3P® via a tandem oxidation‒condensation or condensation reaction
RSC Adv., 2016, 6, 57154
7236253 CIFC19 H14 N2P 21 21 217.9203; 10.4738; 16.8627
90; 90; 90
1398.86Chen, Zhengwang; Wen, Yuelu; Luo, Guotian; Ye, Min; Wang, Qinghao
Transition-metal-free C‒C bond cleavage and formation: efficient synthesis of 2,3-diarylimidazo[1,2-α]pyridines from 2-aminopyridines and alkynoates
RSC Advances, 2016, 6, 86464
7225342 CIFC19 H15 O PP b c a10.1947; 8.73; 34.4274
90; 90; 90
3064Xue, Pengchong; Wang, Panpan; Chen, Peng; Ding, Jipeng; Lu, Ran
Enhanced room-temperature phosphorescence of triphenylphosphine derivatives without metal and heavy atoms in their crystal phase
RSC Adv., 2016, 6, 51683

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