Crystallography Open Database

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7250859 CIFC36 H31 B N2P 1 21/n 111.5947; 10.6548; 23.6679
90; 103.405; 90
2844.3Zhang, Yuchen; Jiao, Yijia; Guo, Yan; Cen, Peipei; Zhang, Zhenyi; Liu, Xiangyu
Dynamic pedal motion and thermal expansion in an ionic co-crystal with 1,2-bis(4-pyridyl) ethylene
RSC Advances, 2025, 15, 33531-33535
7250860 CIFC36 H31 B N2P 1 21/n 111.4902; 10.566; 23.4778
90; 102.284; 90
2785.1Zhang, Yuchen; Jiao, Yijia; Guo, Yan; Cen, Peipei; Zhang, Zhenyi; Liu, Xiangyu
Dynamic pedal motion and thermal expansion in an ionic co-crystal with 1,2-bis(4-pyridyl) ethylene
RSC Advances, 2025, 15, 33531-33535
7250861 CIFC36 H31 B N2P 1 21/n 111.4651; 10.5281; 23.44
90; 102.002; 90
2767.5Zhang, Yuchen; Jiao, Yijia; Guo, Yan; Cen, Peipei; Zhang, Zhenyi; Liu, Xiangyu
Dynamic pedal motion and thermal expansion in an ionic co-crystal with 1,2-bis(4-pyridyl) ethylene
RSC Advances, 2025, 15, 33531-33535
7250862 CIFC36 H31 B N2P 1 21/n 111.5246; 10.5868; 23.5275
90; 102.595; 90
2801.5Zhang, Yuchen; Jiao, Yijia; Guo, Yan; Cen, Peipei; Zhang, Zhenyi; Liu, Xiangyu
Dynamic pedal motion and thermal expansion in an ionic co-crystal with 1,2-bis(4-pyridyl) ethylene
RSC Advances, 2025, 15, 33531-33535
7250866 CIFC18 H27 Bi Cl6 N6P -114.3578; 14.407; 14.4113
104.558; 104.407; 100.574
2696.6Altalib, Rima; Ghoudi, Arafet; Tliha, Mohamed; Naouari, Raja; Rekik, Walid; Lhoste, Jerome; Oueslati, Abderrazek
A zero-dimensional (C6H9N2)3[BiCl6] hybrid material: synthesis and structural, optical, and electrical conductivity
RSC Advances, 2025, 15, 33946-33961
7250892 CIFC26 H36 Cl2 N8 O12 Re2 S0P -110.6588; 12.0358; 15.5323
79.51; 84.809; 66.686
1798.94Abdullah, Shabaaz; Davison, Candace; Smit, Christie Jane; Mbatha, Phiwokuhle; Mare, Jo-Anne de la; Booysen, Irvin Noel
Synthesis, characterization, DNA interaction, and anticancer studies of novel facial tricarbonylrhenium(i) complexes with uracil-derived ligands
RSC Advances, 2025, 15, 34635-34642
7250893 CIFC19 H15 Br N5 O5 ReP 1 21/c 115.19; 10.7654; 13.4702
90; 108.661; 90
2086.93Abdullah, Shabaaz; Davison, Candace; Smit, Christie Jane; Mbatha, Phiwokuhle; Mare, Jo-Anne de la; Booysen, Irvin Noel
Synthesis, characterization, DNA interaction, and anticancer studies of novel facial tricarbonylrhenium(i) complexes with uracil-derived ligands
RSC Advances, 2025, 15, 34635-34642
7250894 CIFC24 H31 Br N5 O7 ReP b c a18.9342; 10.194; 28.1709
90; 90; 90
5437.4Abdullah, Shabaaz; Davison, Candace; Smit, Christie Jane; Mbatha, Phiwokuhle; Mare, Jo-Anne de la; Booysen, Irvin Noel
Synthesis, characterization, DNA interaction, and anticancer studies of novel facial tricarbonylrhenium(i) complexes with uracil-derived ligands
RSC Advances, 2025, 15, 34635-34642
7250895 CIFC20 H16 O4P -15.6698; 10.893; 13.585
72.75; 85.55; 86.34
798.1Feyzi, Aynaz; Jafarpour, Farnaz
Regioselective C3–C4 difunctionalization of 4-bromocoumarins via Pd/norbornene catalysis
RSC Advances, 2025, 15, 34434-34438
7250902 CIFC13 H30 Br4 Cd N4P -4 21 m13.4605; 13.4605; 14.4058
90; 90; 90
2610.12Kim, Sun Ha; Shin, Daiha; Ko, Yoon-Joo; Lim, Ae Ran
Comprehensive study of organic–inorganic hybrid [N(C2H5)4]2CdBr4: crystal structure, phase transitions, and structural geometry
RSC Advances, 2025, 15, 34939-34947
7250906 CIFC63 H64 Cl6 Fe N3P -19.3002; 13.7002; 22.497
96.212; 90.55; 100.482
2800.8Zhang, Randi; Ma, Yanping; Solan, Gregory A.; Wang, Yizhou; Gao, Jiahao; Liang, Tongling; Sun, Wen-Hua
Modulation of 2-imino-6,7-dihydroquinlin-8(5H)-imine-iron ethylene polymerization catalysts through (cyclo)alkyl, benzhydryl and halide substitution
RSC Advances, 2025, 15, 35055-35067
7250907 CIFC87 H81 Cl2 Fe N3P 1 21/c 128.2417; 17.0632; 17.8586
90; 101.352; 90
8437.6Zhang, Randi; Ma, Yanping; Solan, Gregory A.; Wang, Yizhou; Gao, Jiahao; Liang, Tongling; Sun, Wen-Hua
Modulation of 2-imino-6,7-dihydroquinlin-8(5H)-imine-iron ethylene polymerization catalysts through (cyclo)alkyl, benzhydryl and halide substitution
RSC Advances, 2025, 15, 35055-35067
7250908 CIFC17 H23 Cl N2 O2P 1 21/c 111.2517; 13.8607; 11.2925
90; 94.92; 90
1754.65R., Manjunath; Rao, Ashwini; Mahesha,; A. H., Udaya Kumar; Acharya, Sudarshan; Udupa E. G., Padmanabha; Abdul Salam, Abdul Ajees; Hakkimane, Sushruta S.; B. S., Shashikala; N. K., Lokanath; Gaonkar, Santosh L.
Design and synthesis of N-substituted-2-butyl-4-chloro-1H-imidazole derivatives as potential ACE inhibitors: in vitro study, in-silico analysis, and a multifaceted CSD-supported crystallographic investigation
RSC Advances, 2025, 15, 35077-35098
7250909 CIFC8 H6 N8 O9P c a 2119.0525; 4.9314; 14.2572
90; 90; 90
1339.54Zhang, Xiaoyan; Zhang, Qisheng; Zhao, Yunshu; Li, Guiying; Jiang, Tiying; Suo, Zhirong; Sun, Shanhu; Su, Li
Synthesis, crystal structure and properties of 3-picrylamino-1,2,4-triazole-nitric acid self-assembled energetic material
RSC Advances, 2025, 15, 35109-35114
7250910 CIFC35 H36 N4 Ni O3P 1 21 19.8518; 9.0638; 16.7122
90; 90.598; 90
1492.23Hayriyan, Liana; Grigoryan, Anna; Gevorgyan, Hasmik; Tsaturyan, Avetis; Sargsyan, Armen; Langer, Peter; Saghyan, Ashot; Mkrtchyan, Anna
A<sup>3</sup>-Mannich coupling reaction <i>via</i> chiral propargylglycine Ni(ii) complex: an approach for synthesizing enantiomerically enriched unnatural α-amino acids.
RSC advances, 2025, 15, 35379-35387
7250911 CIFC35 H38 N4 Ni O3P 21 21 218.0669; 11.4585; 32.7459
90; 90; 90
3026.85Hayriyan, Liana; Grigoryan, Anna; Gevorgyan, Hasmik; Tsaturyan, Avetis; Sargsyan, Armen; Langer, Peter; Saghyan, Ashot; Mkrtchyan, Anna
A<sup>3</sup>-Mannich coupling reaction <i>via</i> chiral propargylglycine Ni(ii) complex: an approach for synthesizing enantiomerically enriched unnatural α-amino acids.
RSC advances, 2025, 15, 35379-35387
7250912 CIFC41 H40 N4 Ni O4P 21 21 219.27604; 9.63867; 38.6709
90; 90; 90
3457.51Hayriyan, Liana; Grigoryan, Anna; Gevorgyan, Hasmik; Tsaturyan, Avetis; Sargsyan, Armen; Langer, Peter; Saghyan, Ashot; Mkrtchyan, Anna
A<sup>3</sup>-Mannich coupling reaction <i>via</i> chiral propargylglycine Ni(ii) complex: an approach for synthesizing enantiomerically enriched unnatural α-amino acids.
RSC advances, 2025, 15, 35379-35387
7250913 CIFC34 H28 N2 O3P b c a8.1317; 16.3483; 41.1137
90; 90; 90
5465.6Pradeep Kumar, Mommuleti; Sarkar, Tukki; Durga Prasad, Vemavarapu; Sharma, Nidhi; Kumar B, Harish; Sai Balaji, Andagulapati; Nagendra Babu, Bathini
Pyrido-indole-one hybrids as potential anticancer agents against breast carcinoma: development of Ru(ii)-catalyzed annulation of indole-2-carboxamides, biological screening and molecular docking studies.
RSC advances, 2025, 15, 35445-35459
7250914 CIFC93 H66 B4 Co2 F16 N12 O3C 1 c 18.8745; 41.277; 23.237
90; 98.318; 90
8422Soejima, Keita; Sekine, Yoshihiro; Miyake, Kanta; Kiba, Kota; Yamaguchi, Yuito; Zenno, Hikaru; Hayami, Shinya
Observation of spin-crossover behaviour in Co(ii)-terpyridine complexes possessing π-conjugated substations
RSC Advances, 2025, 15, 35892-35898
7250915 CIFC69 H41 B2 Cl9 Co F8 N6P -110.9464; 17.5374; 18.3393
105.877; 105.286; 99.921
3151.14Soejima, Keita; Sekine, Yoshihiro; Miyake, Kanta; Kiba, Kota; Yamaguchi, Yuito; Zenno, Hikaru; Hayami, Shinya
Observation of spin-crossover behaviour in Co(ii)-terpyridine complexes possessing π-conjugated substations
RSC Advances, 2025, 15, 35892-35898
7250916 CIFC56 H37 B2 Co F8 N7P 1 21/c 114.6941; 16.9594; 19.7961
90; 104.323; 90
4779.9Soejima, Keita; Sekine, Yoshihiro; Miyake, Kanta; Kiba, Kota; Yamaguchi, Yuito; Zenno, Hikaru; Hayami, Shinya
Observation of spin-crossover behaviour in Co(ii)-terpyridine complexes possessing π-conjugated substations
RSC Advances, 2025, 15, 35892-35898
7250917 CIFC139 H97 B4 Co2 F16 N19P 1 21/c 120.3553; 14.0557; 22.6261
90; 107.921; 90
6159.4Soejima, Keita; Sekine, Yoshihiro; Miyake, Kanta; Kiba, Kota; Yamaguchi, Yuito; Zenno, Hikaru; Hayami, Shinya
Observation of spin-crossover behaviour in Co(ii)-terpyridine complexes possessing π-conjugated substations
RSC Advances, 2025, 15, 35892-35898
7250927 CIFC22 H16 O4P 1 21/c 119.78; 4.9187; 19.121
90; 115.035; 90
1685.5Demidov, Oleksii O.; Chepeleva, Ludmila V.; Shishkina, Svitlana V.; Gladkov, Eugene S.; Kyrychenko, Alexander; Linnik, Rostyslav P.; Roshal, Alexander D.
Influence of C3′- and C4′-substitutions on fluorescence, crystal packing, and physicochemical properties of flavonol
RSC Advances, 2025, 15, 36300-36318
7250928 CIFC16 H12 O4P 1 21/c 111.2635; 4.988; 22.0194
90; 95.119; 90
1232.17Demidov, Oleksii O.; Chepeleva, Ludmila V.; Shishkina, Svitlana V.; Gladkov, Eugene S.; Kyrychenko, Alexander; Linnik, Rostyslav P.; Roshal, Alexander D.
Influence of C3′- and C4′-substitutions on fluorescence, crystal packing, and physicochemical properties of flavonol
RSC Advances, 2025, 15, 36300-36318
7250940 CIFC21 H17 Cl O6C 1 2/c 123.9515; 9.1618; 17.4802
90; 111.285; 90
3574.2Zhou, Huafeng; Huang, Jiayong; Su, Jian; Su, Xiaowei; Chen, Qiujuan; Li, Rui; Zheng, Yuxiao; Chen, Rui; Huo, Lini
Design and synthesis of novel angular 4,5-pyranocoumarin fluorescent probes for detecting hydrazine and their applications
RSC Advances, 2025, 15, 36525-36533
7250941 CIFC34 H42 F24 N10 O2 P4P 1 21/c 19.7103; 15.367; 16.634
90; 106.66; 90
2377.9Wang, Fang; Hua, Kai
Tetraimidazolium macrocycle: a versatile building block and precursor for box-type coordination cages
RSC Advances, 2025, 15, 36704-36709
7250942 CIFC54 H70 N10 O21 S4P -19.99; 11.5725; 13.5773
106.084; 93.193; 91.577
1504.4Wang, Fang; Hua, Kai
Tetraimidazolium macrocycle: a versatile building block and precursor for box-type coordination cages
RSC Advances, 2025, 15, 36704-36709
7250943 CIFC54 H60 N10 O17 S4P -113.1874; 13.5426; 16.645
103.076; 93.461; 91.759
2887.3Wang, Fang; Hua, Kai
Tetraimidazolium macrocycle: a versatile building block and precursor for box-type coordination cages
RSC Advances, 2025, 15, 36704-36709
7250944 CIFC176 H166 Ag4 B4 N26P -114.7897; 16.456; 17.2188
83.565; 75.898; 69.642
3808.8Wang, Fang; Hua, Kai
Tetraimidazolium macrocycle: a versatile building block and precursor for box-type coordination cages
RSC Advances, 2025, 15, 36704-36709
7250945 CIFC45 H47 F6 N8 O12 P S3P -113.5033; 13.5926; 16.9599
77.384; 86.634; 61.567
2667.6Wang, Fang; Hua, Kai
Tetraimidazolium macrocycle: a versatile building block and precursor for box-type coordination cages
RSC Advances, 2025, 15, 36704-36709
7250957 CIFC18 H12 N4 O7P 21 21 216.8385; 8.6736; 27.7797
90; 90; 90
1647.74Ahmed, Ruby; Ali, Farman; Alam, Mohammad Jane; Tameem, Mohd; Ali, Abid; Ahmad, Musheer; Khan, Mohd Adeel
Fluorescence quenching aptitude of carbazole for the detection of nitro-aromatics: a comprehensive experimental analysis and computational studies validation.
RSC advances, 2025, 15, 29479-29489
7250958 CIFC22 H21 Br N2 O6P -17.8555; 11.8073; 12.6358
68.39; 73.555; 82.248
1044.43Singh Tanwer, Yogesh Bhaskar; Sourabh, Suman; Bhunia, Sabyasachi; Pal, Sanchari; Das, Debjit
pTSA-catalyzed synthesis of functionalized chromeno[2,3-d]pyrimidine/chromeno[4,3-b]chromene derivatives via one-pot three component reaction: mechanistic insights and variable temperature NMR studies to investigate restricted bond rotation
RSC Advances, 2025, 15, 37090-37098
7251027 CIFC13 H2 F10 O SP 1 21 19.0321; 5.9155; 13.5634
90; 108.758; 90
686.19Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo
Comparison between the crystal structures of racemic and enantiopure aryl benzyl sulfoxides.
RSC advances, 2025, 15, 37824-37832
7251028 CIFC13 H5 Cl2 F5 O SP 1 21/n 17.8924; 12.8239; 14.3783
90; 96.73; 90
1445.2Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo
Comparison between the crystal structures of racemic and enantiopure aryl benzyl sulfoxides.
RSC advances, 2025, 15, 37824-37832
7251029 CIFC14 H13 Br O2 SP -17.3042; 7.6512; 12.3586
96.168; 96.341; 95.461
678.46Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo
Comparison between the crystal structures of racemic and enantiopure aryl benzyl sulfoxides.
RSC advances, 2025, 15, 37824-37832
7251030 CIFC11 H5 F5 O S2P 1 21/c 18.5319; 5.3467; 25.5242
90; 97.512; 90
1154.36Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo
Comparison between the crystal structures of racemic and enantiopure aryl benzyl sulfoxides.
RSC advances, 2025, 15, 37824-37832
7251031 CIFC13 H10 Br N O3 SP 1 21/n 17.5989; 13.6591; 13.3151
90; 100.127; 90
1360.5Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo
Comparison between the crystal structures of racemic and enantiopure aryl benzyl sulfoxides.
RSC advances, 2025, 15, 37824-37832
7251032 CIFC11 H4 Cl F5 O S2P 1 21/c 126.479; 5.1357; 9.4706
90; 92.401; 90
1286.8Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo
Comparison between the crystal structures of racemic and enantiopure aryl benzyl sulfoxides.
RSC advances, 2025, 15, 37824-37832
7251033 CIFC11 H4 Cl F5 O S2P 1 21 15.4298; 9.9501; 11.8841
90; 97.249; 90
636.93Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo
Comparison between the crystal structures of racemic and enantiopure aryl benzyl sulfoxides.
RSC advances, 2025, 15, 37824-37832
7251034 CIFC13 H10 Br Cl O SP 1 21/c 114.7677; 10.6376; 8.7815
90; 104.795; 90
1333.77Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo
Comparison between the crystal structures of racemic and enantiopure aryl benzyl sulfoxides.
RSC advances, 2025, 15, 37824-37832
7251035 CIFC13 H10 Br N O3 SP 1 21/c 15.5795; 15.8279; 15.0311
90; 97.03; 90
1317.44Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo
Comparison between the crystal structures of racemic and enantiopure aryl benzyl sulfoxides.
RSC advances, 2025, 15, 37824-37832
7251036 CIFC13 H2 F10 O SP 1 c 112.966; 5.3774; 9.6002
90; 93.82; 90
667.9Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo
Comparison between the crystal structures of racemic and enantiopure aryl benzyl sulfoxides.
RSC advances, 2025, 15, 37824-37832
7251037 CIFC15 H10 N2P -18.0709; 8.4139; 9.3777
99.9568; 101.678; 116.603
531.76Ozomarisi, Hamza Enesi; Outlaw, Victor K.
A rapid, metal-free synthesis of amino- and hydroxyphenanthrenes with tunable photophysical properties.
RSC advances, 2025, 15, 38024-38028
7251038 CIFC17 H13 Br O3P 1 21/n 14.52734; 25.31093; 12.21079
90; 93.0826; 90
1397.22Ozomarisi, Hamza Enesi; Outlaw, Victor K.
A rapid, metal-free synthesis of amino- and hydroxyphenanthrenes with tunable photophysical properties.
RSC advances, 2025, 15, 38024-38028
7251039 CIFC53 H69 Cu4 N11 O35P 1 21/c 111.2016; 27.5447; 22.4151
90; 98.98; 90
6831.3Ajibade, Peter A.; Oloyede, Solomon O.
Ultrasensitive electrochemical detection of bisphenol A using copper(ii) metal–organic framework ternary quantum dot (Cu-MOF/TQD) composite-modified gold electrodes
RSC Advances, 2025, 15, 38359-38377
7251040 CIFC17 H12 Cl N O2P 1 21/c 15.5582; 16.5166; 14.6656
90; 90.907; 90
1346.17Chakraborty, Sourav; Bhattachrjyya, Arghyadeep; Paul, Bhaswati; Das, Barnali; Natarajan, Ramalingam; Majumdar, Swapan
Metal-free access to 4-indolyl coumarin from coumarin 3-carboxylic acid and indole <i>via</i> a Michael addition-decarboxylation and dehydrogenation protocol: a photo-physical study and utility as an invisible ink.
RSC advances, 2025, 15, 37888-37898
7251041 CIFC18 H12 Cl N O4P 1 21 114.6606; 7.2869; 16.3207
90; 111.475; 90
1622.5Chakraborty, Sourav; Bhattachrjyya, Arghyadeep; Paul, Bhaswati; Das, Barnali; Natarajan, Ramalingam; Majumdar, Swapan
Metal-free access to 4-indolyl coumarin from coumarin 3-carboxylic acid and indole <i>via</i> a Michael addition-decarboxylation and dehydrogenation protocol: a photo-physical study and utility as an invisible ink.
RSC advances, 2025, 15, 37888-37898
7251054 CIFC30 H22 Br2 O4 SP 1 21/n 111.8305; 17.7949; 12.865
90; 103.504; 90
2633.5Chen, Dongdong; Wang, Yan; Wu, Yujun; Yu, Qiaoqiao; Wang, Yunhan; Zheng, Junyao; Ying, Zhong; Hou, Changhui
Design, synthesis and acaricidal activity of tetrahydrothiophene derivatives against Psoroptes cuniculi
RSC Advances, 2025, 15, 39028-39036
7251055 CIFC14 H18 O10P 21 21 217.4995; 13.933; 14.2792
90; 90; 90
1492Uzma,; Parveen, Mehtab; Fatima, Sabiha; Kumar, Avadhesh; Azeem, Mohammad; Siddiqui, Masooma; Alam, Mahboob
Isolation and comprehensive characterization of a bioactive compound from Garcinia nervosa: single-crystal X-ray diffraction, antioxidant, protein-binding, and chemosensing studies
RSC Advances, 2025, 15, 38916-38932
7251131 CIFC16 H32 Bi2 Br10 N4 O2P 1 21/c 110.6409; 12.0862; 14.1356
90; 108.685; 90
1722.14Alibi, Amin; Elleuch, Nour; Shova, Sergiu; Lhoste, Jerome; Duval, Guillaume; Boujelbene, Mohamed
Comprehensive structural and DFT analysis of a newly synthesized bismuth-based organic-inorganic hybrid material: in-depth insights into vibrational, optical, and photoluminescence properties of (C<sub>8</sub>H<sub>14</sub>N<sub>2</sub>)<sub>2</sub>[Bi<sub>2</sub>Br<sub>10</sub>]·2H<sub>2</sub>O.
RSC advances, 2025, 15, 40439-40455

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