Crystallography Open Database

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7063035 CIFC42 H18 B F5 N6 OP -18.2507; 14.9183; 16.3974
91.155; 94.457; 92.624
2009.51Holst, Devon P.; Dovijarski, Aleksa; Lough, Alan J.; Bender, Timothy P.
Triphenyl borates used to avoid the bay-position halogenation of boron subnaphthalocyanines; and for the subnaphthalocyanine, subphthalocyanine and hybrids formation
New Journal of Chemistry, 2024, 48, 5127-5143
7063036 CIFC60 H84 Cl4 N4 O10P 1 21 113.385; 17.9218; 13.9875
90; 114.647; 90
3049.7Khan, Umair Ahmed; Choudhary, M. Iqbal; Yousuf, Sammer
Synthesis of halogenated benzimidazolyl-C-nucleosides and their activity against Leishmania major and Leishmania tropica
New Journal of Chemistry, 2024, 48, 5605-5612
7063037 CIFC19 H22 Cl2 F2 N2 O5P 1 21 110.0713; 17.542; 12.5246
90; 106.352; 90
2123.2Khan, Umair Ahmed; Choudhary, M. Iqbal; Yousuf, Sammer
Synthesis of halogenated benzimidazolyl-C-nucleosides and their activity against Leishmania major and Leishmania tropica
New Journal of Chemistry, 2024, 48, 5605-5612
7063038 CIFC36 H44 N4 O10P 1 21 19.9303; 17.9109; 10.1057
90; 94.298; 90
1792.4Khan, Umair Ahmed; Choudhary, M. Iqbal; Yousuf, Sammer
Synthesis of halogenated benzimidazolyl-C-nucleosides and their activity against Leishmania major and Leishmania tropica
New Journal of Chemistry, 2024, 48, 5605-5612
7063039 CIFC48 H56 Br4 N4 O10P 21 21 2115.5001; 18.3458; 19.5228
90; 90; 90
5551.5Khan, Umair Ahmed; Choudhary, M. Iqbal; Yousuf, Sammer
Synthesis of halogenated benzimidazolyl-C-nucleosides and their activity against Leishmania major and Leishmania tropica
New Journal of Chemistry, 2024, 48, 5605-5612
7063040 CIFC27.8 H34.2 Cl1.1 N3.9 O3.9P -17.7669; 12.944; 14.0381
79.614; 83.153; 73.862
1329.92Alaranta, Johanna M.; Valkonen, Arto M.; Shroff, Sailee S.; Marjomäki, Varpu S.; Rissanen, Kari; Lahtinen, Tanja M.
Modifying the terminal phenyl group of monomethine cyanine dyes as a pathway to brighter nucleic acid probes
New Journal of Chemistry, 2024, 48, 4931-4935
7063041 CIFC55.3 H55.95 Cl1.6 I0.4 N6.65 O5P 1 21/n 19.21834; 21.85441; 24.63787
90; 94.2872; 90
4949.69Alaranta, Johanna M.; Valkonen, Arto M.; Shroff, Sailee S.; Marjomäki, Varpu S.; Rissanen, Kari; Lahtinen, Tanja M.
Modifying the terminal phenyl group of monomethine cyanine dyes as a pathway to brighter nucleic acid probes
New Journal of Chemistry, 2024, 48, 4931-4935
7063042 CIFC24 H17 F N2 O6P -18.715; 10.4907; 12.3492
92.135; 101.797; 108.263
1043.27Zhang, Wen-Hui; Zhang, Bo; Pan, Bo-Wen; Liu, Xiong-Wei; Yin, Zhi-Gang; Zhuo, Yu-Zhou; Lei, Chuan-wen; Zhou, Ying
Design, synthesis, and evaluation of 1,4-naphthoquinone-chromene hybrids as potential anti-K562 and A549 agents
New Journal of Chemistry, 2024, 48, 5334-5345
7063043 CIFC35 H25 B2 F4 N5P -110.2752; 11.7931; 12.4578
80.037; 76.494; 89.59
1444.8Sarkar, Abani; Behera, Kanhu Charan; Tumsare, Ankit; Ravikanth, Mangalampalli
Synthesis and properties of covalently linked phenyl bridged 3-pyrrolyl BODIPY–BODIPY dyads
New Journal of Chemistry, 2024, 48, 5362-5371
7063044 CIFC12 H14 N4 SP 1 21/c 115.106; 4.9258; 16.52
90; 99.557; 90
1212.2Cao, Ying; Che, Yuanyuan; Liu, Lang; Tang, Yakun; Yu, Yuming
Solid-state photochromic properties of indole thiosemicarbazones with aggregation-induced emission
New Journal of Chemistry, 2024, 48, 4726-4734
7063045 CIFC36 H53 N2 O2 SbC 1 2/c 118.6622; 10.6493; 17.3555
90; 95.402; 90
3433.9Duneş, Gabriel; Silvestru, Cristian
NCN-pincer organopnictogen(iii) bis(aryloxides)
New Journal of Chemistry, 2024, 48, 5523-5529
7063046 CIFC28 H37 Bi N2 O6C 1 2/c 114.678; 22.2864; 9.5439
90; 117.719; 90
2763.7Duneş, Gabriel; Silvestru, Cristian
NCN-pincer organopnictogen(iii) bis(aryloxides)
New Journal of Chemistry, 2024, 48, 5523-5529
7063047 CIFC28 H33 Br3 Cl2 Cu3 N9 O14 S3P -18.14; 14.632; 19.569
85.11; 85.25; 74.26
2231Mandal, Naba Kr; Nandi, Sudeshna; Benmansour, Samia; Gómez-García, Carlos J.; Acharya, Krishnendu; Naskar, Jnan Prakash
Design, synthesis and structure of a trinuclear copper(ii) complex having a Cu3OH core with regard to aspects of antiproliferative activity and magnetic properties
New Journal of Chemistry, 2024, 48, 5782-5796
7063048 CIFC26.5 H25 F3 N4 O2 PdP -111.2472; 11.667; 20.8033
99.053; 99.487; 97.943
2620.9Sinha, Nitish Kumar; Khan, Hilal Ahmad; Sivasankar, Chinnappan; Thirupathi, Natesan
Guanidine-centred reactivity of CNN Pd(ii) pincer complexes including carboxylate-assisted N–H activation and –CH2– → –C(O)– oxygenation
New Journal of Chemistry, 2024, 48, 5710-5720
7063049 CIFC30 H21 F6 N5 O PdP -18.4101; 11.9592; 14.4653
82.43; 74.423; 72.257
1332.82Sinha, Nitish Kumar; Khan, Hilal Ahmad; Sivasankar, Chinnappan; Thirupathi, Natesan
Guanidine-centred reactivity of CNN Pd(ii) pincer complexes including carboxylate-assisted N–H activation and –CH2– → –C(O)– oxygenation
New Journal of Chemistry, 2024, 48, 5710-5720
7063050 CIFC23 H15 F9 N4 O2 PdP 1 21/c 113.8775; 22.4973; 16.1759
90; 96.334; 90
5019.4Sinha, Nitish Kumar; Khan, Hilal Ahmad; Sivasankar, Chinnappan; Thirupathi, Natesan
Guanidine-centred reactivity of CNN Pd(ii) pincer complexes including carboxylate-assisted N–H activation and –CH2– → –C(O)– oxygenation
New Journal of Chemistry, 2024, 48, 5710-5720
7063051 CIFC32 H38.5 N4 O3 PdP 1 21/c 111.8433; 18.0831; 29.6288
90; 90.847; 90
6344.7Sinha, Nitish Kumar; Khan, Hilal Ahmad; Sivasankar, Chinnappan; Thirupathi, Natesan
Guanidine-centred reactivity of CNN Pd(ii) pincer complexes including carboxylate-assisted N–H activation and –CH2– → –C(O)– oxygenation
New Journal of Chemistry, 2024, 48, 5710-5720
7063052 CIFC30 H27 N5 O PdP -17.3937; 13.2167; 13.23
89.666; 78.792; 87.117
1266.57Sinha, Nitish Kumar; Khan, Hilal Ahmad; Sivasankar, Chinnappan; Thirupathi, Natesan
Guanidine-centred reactivity of CNN Pd(ii) pincer complexes including carboxylate-assisted N–H activation and –CH2– → –C(O)– oxygenation
New Journal of Chemistry, 2024, 48, 5710-5720
7063053 CIFC32 H24 F9 N5 O2 PdP 1 21/c 18.227; 26.1341; 15.2245
90; 98.085; 90
3240.81Sinha, Nitish Kumar; Khan, Hilal Ahmad; Sivasankar, Chinnappan; Thirupathi, Natesan
Guanidine-centred reactivity of CNN Pd(ii) pincer complexes including carboxylate-assisted N–H activation and –CH2– → –C(O)– oxygenation
New Journal of Chemistry, 2024, 48, 5710-5720
7063054 CIFC48 H44 F3 N4 O2 P PdP -110.8143; 14.5146; 14.54
94.143; 109.681; 90.228
2142.36Sinha, Nitish Kumar; Khan, Hilal Ahmad; Sivasankar, Chinnappan; Thirupathi, Natesan
Guanidine-centred reactivity of CNN Pd(ii) pincer complexes including carboxylate-assisted N–H activation and –CH2– → –C(O)– oxygenation
New Journal of Chemistry, 2024, 48, 5710-5720
7063055 CIFC46 H36 F12 N8 O4 Pd2P 1 21/c 114.2253; 19.3693; 17.411
90; 93.317; 90
4789.29Sinha, Nitish Kumar; Khan, Hilal Ahmad; Sivasankar, Chinnappan; Thirupathi, Natesan
Guanidine-centred reactivity of CNN Pd(ii) pincer complexes including carboxylate-assisted N–H activation and –CH2– → –C(O)– oxygenation
New Journal of Chemistry, 2024, 48, 5710-5720
7063056 CIFC33.5 H27 F6 N5 PdP -18.7513; 12.4438; 14.6041
92.799; 96.175; 100.159
1552.62Sinha, Nitish Kumar; Khan, Hilal Ahmad; Sivasankar, Chinnappan; Thirupathi, Natesan
Guanidine-centred reactivity of CNN Pd(ii) pincer complexes including carboxylate-assisted N–H activation and –CH2– → –C(O)– oxygenation
New Journal of Chemistry, 2024, 48, 5710-5720
7063057 CIFC18 H23 F N2 O3P b c a14.6133; 19.1979; 26.659
90; 90; 90
7479Rippel, Rafael; Leitão, Flávia; Georgieva, Miglena K.; Mamede, Rafael; Gomes, Clara S. B.; Roma-Rodrigues, Catarina; Fernandes, Alexandra R.; Lourenço, Ana; Ferreira, Luísa M.; Branco, Paula S.
Exploring the synthesis of aminal guanidine-based molecules: synthesis of cernumidine and analogues, and survey of its anti-inflammatory activity
New Journal of Chemistry, 2024, 48, 5247-5257
7063058 CIFC15 H14 N2 OP 1 21 15.0552; 9.2248; 25.6961
90; 90.499; 90
1198.25Rippel, Rafael; Leitão, Flávia; Georgieva, Miglena K.; Mamede, Rafael; Gomes, Clara S. B.; Roma-Rodrigues, Catarina; Fernandes, Alexandra R.; Lourenço, Ana; Ferreira, Luísa M.; Branco, Paula S.
Exploring the synthesis of aminal guanidine-based molecules: synthesis of cernumidine and analogues, and survey of its anti-inflammatory activity
New Journal of Chemistry, 2024, 48, 5247-5257
7063059 CIFC10 H4 Br2 N2P -13.8871; 16.768; 16.927
104.837; 90.598; 93.363
1064.3Ali, Hasrat; van Lier, Johan E.
gem-Dibromovinyl phthalonitriles: synthesis, structure elucidation, Hirshfeld surface analysis and energy framework calculations
New Journal of Chemistry, 2024, 48, 6350-6366
7063060 CIFC16 H8 Br2 N2C 1 c 113.792; 12.009; 8.5544
90; 100.71; 90
1392.2Ali, Hasrat; van Lier, Johan E.
gem-Dibromovinyl phthalonitriles: synthesis, structure elucidation, Hirshfeld surface analysis and energy framework calculations
New Journal of Chemistry, 2024, 48, 6350-6366
7063061 CIFC16 H8 Br2 N2 OP 1 21/c 110.5579; 8.9875; 15.356
90; 96.755; 90
1447Ali, Hasrat; van Lier, Johan E.
gem-Dibromovinyl phthalonitriles: synthesis, structure elucidation, Hirshfeld surface analysis and energy framework calculations
New Journal of Chemistry, 2024, 48, 6350-6366
7063062 CIFC18 H8 Br2 N2P 1 21/c 110.686; 16.072; 8.999
90; 91.726; 90
1544.8Ali, Hasrat; van Lier, Johan E.
gem-Dibromovinyl phthalonitriles: synthesis, structure elucidation, Hirshfeld surface analysis and energy framework calculations
New Journal of Chemistry, 2024, 48, 6350-6366
7063063 CIFC16 H8 Br2 N2P -13.9428; 7.726; 22.719
91.706; 92.741; 98.326
683.5Ali, Hasrat; van Lier, Johan E.
gem-Dibromovinyl phthalonitriles: synthesis, structure elucidation, Hirshfeld surface analysis and energy framework calculations
New Journal of Chemistry, 2024, 48, 6350-6366
7063064 CIFC24 H10 Br2 N4 O2P 21 21 216.13; 15.48; 22.251
90; 90; 90
2111.5Ali, Hasrat; van Lier, Johan E.
gem-Dibromovinyl phthalonitriles: synthesis, structure elucidation, Hirshfeld surface analysis and energy framework calculations
New Journal of Chemistry, 2024, 48, 6350-6366
7063065 CIFC18 H8 Br2 N2P -16.7908; 9.4219; 13.421
80.129; 79.462; 70.322
789.3Ali, Hasrat; van Lier, Johan E.
gem-Dibromovinyl phthalonitriles: synthesis, structure elucidation, Hirshfeld surface analysis and energy framework calculations
New Journal of Chemistry, 2024, 48, 6350-6366
7063066 CIFC41 H54 N2 O2 SP 1 21 118.357; 12.475; 18.564
90; 115.78; 90
3828Ramya, Nelliyulla Kappumchalil; Athira, Parappurath; Mathews, Manoj; Shankar Rao, Doddamane S.; Thomas, Reji
Cholesterol-appended cyanostyryl thiophene positional isomers with multistimuli responsive emission switching and liquid crystalline properties
New Journal of Chemistry, 2024, 48, 5911-5918
7063067 CIFC38 H29 Cu P2P -110.7851; 12.7214; 12.9752
66.4; 73.542; 72.674
1529.66Moussa, J.; Juliá, F.; Chamoreau, L. M.; González-Herrero, P.
Mechanochromic photoluminescence in a dinuclear alkynyl copper(i) complex with an extremely short Cu(i)⋯Cu(i) separation
New Journal of Chemistry, 2024, 48, 5577-5581
7063068 CIFC28 H46 Cl2 F2 N10 P4P -18.376; 9.322; 12.011
99.753; 94.602; 94.902
916.6Elmas, Gamze; Okumuş, Aytuğ; Kılıç, Zeynel; Hökelek, Tuncer
Phosphorus–nitrogen compounds. Part 73. Dispiromono and dispirobicyclotetraphosphazene derivatives: syntheses, and spectroscopic, crystallographic and thermal studies
New Journal of Chemistry, 2024, 48, 5804-5819
7063069 CIFC22 H30 Cl4 F2 N8 P4P -19.1703; 9.7421; 9.8703
74.561; 82.14; 63.676
761.65Elmas, Gamze; Okumuş, Aytuğ; Kılıç, Zeynel; Hökelek, Tuncer
Phosphorus–nitrogen compounds. Part 73. Dispiromono and dispirobicyclotetraphosphazene derivatives: syntheses, and spectroscopic, crystallographic and thermal studies
New Journal of Chemistry, 2024, 48, 5804-5819
7063070 CIFC20 H16 N2 OP -15.6923; 11.2384; 11.8487
109.053; 93.53; 92.661
713.32Chen, Yanqi; Hao, Subin; Yin, Lingfeng; Song, Xinluo; Liu, Zhiyao; Li, Mingde; Dang, Li
Metal-free cascade reactions for one-pot tetrahydroquinoxaline construction through nitroarene reduction and imine hydrogenation with water
New Journal of Chemistry, 2024, 48, 6103-6108
7063071 CIFC15 H14 N2 OP 1 21 18.1113; 6.7331; 11.6092
90; 105.805; 90
610.06Chen, Yanqi; Hao, Subin; Yin, Lingfeng; Song, Xinluo; Liu, Zhiyao; Li, Mingde; Dang, Li
Metal-free cascade reactions for one-pot tetrahydroquinoxaline construction through nitroarene reduction and imine hydrogenation with water
New Journal of Chemistry, 2024, 48, 6103-6108
7063072 CIFC21 H31 N3 Ni2 O14 S3P 1 21/c 110.6374; 22.981; 14.4274
90; 106.458; 90
3382.4Vernekar, Beena K.; Harmalkar, Nikita N.; Gaonkar, Sanket K.; Sannigrahi, Jhuma; Dhuri, Sunder N.
Weakly antiferromagnetic vanillin and acetate bridged dinuclear Ni(ii) compound exhibiting catecholase-like activity and biological properties
New Journal of Chemistry, 2024, 48, 3472-3482
7063073 CIFC36 H40 Br4 Cl4 Ni4 O16P 1 21/c 117.1504; 18.407; 15.3957
90; 90.952; 90
4859.6Aryaeifar, Mahnaz; Rudbari, Hadi Amiri; Moreno-Pineda, Eufemio; Cuevas-Vicario, José V.; Paul, Sagar; Schulze, Michael; Wernsdorfer, Wolfgang; Lloret, Francisco; Moini, Nakisa; Blacque, Olivier
Synthesis, characterization and magnetic properties of halogenated tetranuclear cubane-like nickel(ii) complexes
New Journal of Chemistry, 2024, 48, 3603-3613
7063074 CIFBa5 O40 Si8 Y12 ZnI -4 2 m18.7014; 18.7014; 5.364
90; 90; 90
1876.02Ababaikeri, Aihaimaitijiang; Pan, Xueting; Tuniyazi, Gulimeikereyi; Jiang, Xiangzhan; Zhang, Yanhui; Malik, Dilnur
Ba5Y12Zn[O(SiO4)]8: a novel non-centrosymmetric silicate with a short ultraviolet cut-off edge featuring [ZnSi4O16] and [SiO4] units
New Journal of Chemistry, 2024, 48, 3594-3602
7063075 CIFC9 H10 Dy N2 O9P 1 21/c 110.98; 10.19; 10.555
90; 100.591; 90
1160.8Nisa, Zaib ul; Ahmad, Musheer; Sheikh, Haq Nawaz
Two lanthanoid-carboxylate directed coordination polymers for the luminescent selective detection of Fe3+ and meta-nitroaniline in aqueous solution
New Journal of Chemistry, 2024, 48, 3100-3109
7063076 CIFC8 H9 Gd N2 O9P 1 21/c 110.911; 10.217; 10.524
90; 100.378; 90
1154Nisa, Zaib ul; Ahmad, Musheer; Sheikh, Haq Nawaz
Two lanthanoid-carboxylate directed coordination polymers for the luminescent selective detection of Fe3+ and meta-nitroaniline in aqueous solution
New Journal of Chemistry, 2024, 48, 3100-3109
7063077 CIFC21 H22 O4P 15.9532; 10.2293; 22.7669
90.064; 93.193; 92.558
1382.9Chen, Jiawei; Shao, Ying; Tang, Shengbiao; Sun, Jiangtao
Enantioselective insertion of vinyl diazoacetates into O–H bonds of carboxylic acids
New Journal of Chemistry, 2024, 48, 5092-5096
7063078 CIFC11 H11 N O4 SP 1 21/n 17.6259; 22.2673; 12.9983
90; 92.158; 90
2205.7Lu, Zujia; Yang, Guangzao; Luo, Huaxin; Gao, Minjie; Irfan, Majeed; Wang, Fei; Zeng, Zhuo
An efficient and straightforward approach for accessing sulfonamide/N-sulfonyl succinic esters via potassium fluoride-promoted C–N cleavage of N-sulfonyl succinimide
New Journal of Chemistry, 2024, 48, 6378-6385
7063079 CIFC27 H21 Br N2 O2P -18.6905; 13.8209; 19.6302
80.159; 84.229; 72.876
2217Chen, Shuang; Wang, Xi-Rui; Wang, Wei-Na; Xu, Ke-Lan; Hu, Pan; Zhou, Ying; Pan, Bo-Wen; Wang, Qi-Lin; Liu, Xiong-Li
Design, synthesis and evaluation of structurally diverse polycyclic harmaline scaffolds as anticancer agents
New Journal of Chemistry, 2024, 48, 6322-6334
7063080 CIFC19 H17 N OP 1 21/c 111.363; 10.957; 12.286
90; 95.46; 90
1522.7Ghosh, Aritra; Upadhyay, Samridhi; Dahatonde, Dipak J.; Kant, Ruchir; Batra, Sanjay
Lewis acid-mediated modular route to the synthesis of 3-substituted quinolines from 2-aminobenzyl alcohols and enamine(one)s
New Journal of Chemistry, 2024, 48, 6902-6910
7063081 CIFC36 H33 Ag Eu N13 O14 P2C 2 2 2116.0607; 28.9999; 38.8996
90; 90; 90
18117.8Bryleva, Yuliya A.; Rakhmanova, Mariana I.; Artem'ev, Alexander V.; Baranov, Andrey Yu.; Glinskaya, Ludmila A.
Dual emissive Ln(iii)–Ag(i) heterometallic chains based on tris(2-pyridyl)phosphine oxide
New Journal of Chemistry, 2024, 48, 6430-6437
7063082 CIFC36 H33 Ag N13 O14 P2 TbC 2 2 2116.0444; 28.8706; 38.8302
90; 90; 90
17986.6Bryleva, Yuliya A.; Rakhmanova, Mariana I.; Artem'ev, Alexander V.; Baranov, Andrey Yu.; Glinskaya, Ludmila A.
Dual emissive Ln(iii)–Ag(i) heterometallic chains based on tris(2-pyridyl)phosphine oxide
New Journal of Chemistry, 2024, 48, 6430-6437
7063083 CIFC38 H40 N6 O4P 21 21 219.32674; 13.9964; 25.3147
90; 90; 90
3304.6Chen, Zi-Yue; Xu, Ke-Lan; Wang, Xi-Rui; Hu, Pan; Jiang, Wei-Yan; Dai, Yi-Feng; Peng, Li-Jun; Liu, Xiong-Li
Phen-2NO, a new C2-symmetric rigid-featured tetradentate ligand, and its application in the asymmetric alkylation reaction of indoles
New Journal of Chemistry, 2024, 48, 6670-6675
7063084 CIFC23 H17 N3 O5P b c a9.31509; 19.69557; 20.1738
90; 90; 90
3701.21Das, Arindam; Dey, Sovan; Yadav, Ram Naresh; Dutta, Prajna; Dhiman, Shubham; Boruah, Palash Jyoti; Sarkar, Koushik; Sahu, Abhishek; Jana, Anupam; Paul, Amit Kumar; Hossain, Md. Firoj
Unleashing naphthopyranopyrimidine's anticancer potential: a deep eutectic solvent (DES) study
New Journal of Chemistry, 2024, 48, 7566-7578

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