Crystallography Open Database

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2021391 CIF
Paper
C116 H90.67 As2 Cu8 Eu2 K2 N16 O117.5 W22I 1 2/a 130.5449; 14.2507; 48.6187
90; 107.836; 90
20145.9Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat
Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates
Acta Crystallographica Section C Structural Chemistry, 2018, 74
2021392 CIF
HKL
Paper
C116 H92 As2 Cu8 Gd2 K2 N16 O126 W22I 1 2/a 130.5038; 14.1439; 48.2029
90; 108.131; 90
19764.2Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat
Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates
Acta Crystallographica Section C Structural Chemistry, 2018, 74
2021393 CIF
HKL
Paper
C116 H92 As2 Cu8 K2 N16 O126 Tb2 W22I 1 2/a 130.4415; 14.0792; 48.0609
90; 108.235; 90
19564.1Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat
Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates
Acta Crystallographica Section C Structural Chemistry, 2018, 74
2021394 CIF
HKL
Paper
C116 H88 As2 Cu8 Dy2 K2 N16 O128 W22I 1 2/a 130.481; 14.104; 48.1783
90; 108.247; 90
19670.6Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat
Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates
Acta Crystallographica Section C Structural Chemistry, 2018, 74
2021395 CIF
HKL
Paper
C116 H94 As2 Cu8 Ho2 K2 N16 O128 W22I 1 2/a 130.4802; 14.113; 48.116
90; 108.169; 90
19665.9Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat
Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates
Acta Crystallographica Section C Structural Chemistry, 2018, 74
2021396 CIF
HKL
Paper
C116 H87 As2 Cu8 Er2 K2 N16 O128 W22I 1 2/a 130.581; 14.1638; 48.299
90; 108.273; 90
19865Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat
Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates
Acta Crystallographica Section C Structural Chemistry, 2018, 74
2021397 CIF
HKL
Paper
C12 H10 N2 O4P -16.6714; 7.3296; 12.987
90.425; 96.907; 114.347
573.23Dutkiewicz, Grzegorz; Dutkiewicz, Edward; Kubicki, Maciej
Cocrystals of pyrazine and benzene polycarboxylic acids
Acta Crystallographica Section C, 2018, 74, 1420-1426
2021398 CIF
HKL
C13 H10 N2 O6P -17.7184; 9.9393; 10.03
115.029; 112.471; 92.672
624Dutkiewicz, Grzegorz; Dutkiewicz, Edward; Kubicki, Maciej
Cocrystals of pyrazine and benzene polycarboxylic acids
Acta Crystallographica Section C, 2018, 74, 1420-1426
2021399 CIF
HKL
C22 H20 N2 O14P -16.6537; 8.3316; 11.5433
73.1; 75.565; 73.001
576.01Dutkiewicz, Grzegorz; Dutkiewicz, Edward; Kubicki, Maciej
Cocrystals of pyrazine and benzene polycarboxylic acids
Acta Crystallographica Section C, 2018, 74, 1420-1426
2021400 CIF
HKL
C22 H18 N6 O8P 1 21/c 17.0481; 22.365; 7.212
90; 96.967; 90
1128.44Dutkiewicz, Grzegorz; Dutkiewicz, Edward; Kubicki, Maciej
Cocrystals of pyrazine and benzene polycarboxylic acids
Acta Crystallographica Section C, 2018, 74, 1420-1426
2021401 CIF
Paper
C3 As2 Na12 O113 W20 Y2P -113.3054; 18.0281; 22.4544
91.09; 92.169; 108.155
5111.7Kaushik, Reetam; Khan, Imran; Saini, Mukesh Kumar; Hussain, Firasat; Sadakane, Masahiro
Synthesis and characterization of carbonate-encapsulated ytterbium- and yttrium-containing polyoxotungstates
Acta Crystallographica Section C, 2018, 74, 1355-1361
2021402 CIF
Paper
C Ge2 K3 Na4 O95 W18 Y5C 1 2/c 123.3948; 24.5658; 18.6887
90; 110.869; 90
10036Kaushik, Reetam; Khan, Imran; Saini, Mukesh Kumar; Hussain, Firasat; Sadakane, Masahiro
Synthesis and characterization of carbonate-encapsulated ytterbium- and yttrium-containing polyoxotungstates
Acta Crystallographica Section C, 2018, 74, 1355-1361
2021403 CIF
Paper
C Ge2 K8 Na O93 W18 Yb4C 1 2/c 122.2367; 22.6726; 20.1786
90; 111.037; 90
9495.3Kaushik, Reetam; Khan, Imran; Saini, Mukesh Kumar; Hussain, Firasat; Sadakane, Masahiro
Synthesis and characterization of carbonate-encapsulated ytterbium- and yttrium-containing polyoxotungstates
Acta Crystallographica Section C, 2018, 74, 1355-1361
2021404 CIF
HKL
Paper
C68 H64 N14 O20 S4P -19.1561; 12.766; 15.1022
83.03; 75.313; 83.972
1689.87Liu, Xiaojiao; Michalchuk, Adam A. L.; Pulham, Colin R.; Boldyreva, Elena V.
An acetonitrile-solvated cocrystal of piroxicam and succinic acid with co-existing zwitterionic and non-ionized piroxicam molecules
Acta Crystallographica Section C, 2019, 75, 29-37
2021405 CIFC34 H32 N6 O12 S2P -17.6779; 8.4177; 14.3934
79.528; 74.65; 72.82
851.61Liu, Xiaojiao; Michalchuk, Adam A. L.; Pulham, Colin R.; Boldyreva, Elena V.
An acetonitrile-solvated cocrystal of piroxicam and succinic acid with co-existing zwitterionic and non-ionized piroxicam molecules
Acta Crystallographica Section C, 2019, 75, 29-37
2021406 CIF
HKL
Paper
C116 H192.8 O105C 2 2 2119.0698; 24.1017; 31.0577
90; 90; 90
14274.6Aree, Thammarat
Inclusion complex of β-cyclodextrin with coffee chlorogenic acid: new insights from a combined crystallographic and theoretical study
Acta Crystallographica Section C, 2019, 75, 15-21
2021407 CIF
HKL
Paper
C42 H39 N4 O10.5 ZnP c a a11.099; 12.917; 26.55
90; 90; 90
3806Chen, Zhen; Sun, Yanwen; Liu, Zi-an; Wang, Ning; Yang, Xue; You, Xiaomeng; Wang, Xiaozhong
A three-dimensional Zn^II^ coordination network based on 5,5'-methylenebis(2,4,6-trimethylisophthalic acid) and 2,7-bis(1<i>H</i>-imidazol-1-yl)fluorene: synthesis, structure and luminescence properties
Acta Crystallographica Section C, 2019, 75, 8-14
2021408 CIF
HKL
Paper
C5 H7 N5 O2C 1 2/c 116.357; 3.712; 22.723
90; 101.72; 90
1350.9Laos, Roberto; Lampropoulos, Christos; Benner, Steven A.
The surprising pairing of 2-aminoimidazo[1,2-<i>a</i>][1,3,5]triazin-4-one, a component of an expanded DNA alphabet
Acta Crystallographica Section C, 2019, 75, 22-28
2021409 CIF
HKL
Paper
C19 H16 N4 OP 1 21/c 15.6126; 10.0683; 27.2349
90; 90.095; 90
1539.02Araujo, Vinicius Oliveira; Tirloni, Bárbara; Streit, Lívia; Schwade, Vânia Denise
Neutral 4-phenyl-1-[phenyl(pyridin-2-yl)methylidene]semicarbazide and its salt forms with inorganic anions
Acta Crystallographica Section C, 2019, 75, 1-7
2021410 CIF
HKL
Paper
C19 H21 Cl N4 O3P 1 21/c 19.4452; 9.5489; 21.039
90; 95.26; 90
1889.5Araujo, Vinicius Oliveira; Tirloni, Bárbara; Streit, Lívia; Schwade, Vânia Denise
Neutral 4-phenyl-1-[phenyl(pyridin-2-yl)methylidene]semicarbazide and its salt forms with inorganic anions
Acta Crystallographica Section C, 2019, 75, 1-7
2021411 CIF
HKL
Paper
C19 H21 N5 O6P 1 21/c 19.5556; 9.305; 22.2715
90; 96.048; 90
1969.25Araujo, Vinicius Oliveira; Tirloni, Bárbara; Streit, Lívia; Schwade, Vânia Denise
Neutral 4-phenyl-1-[phenyl(pyridin-2-yl)methylidene]semicarbazide and its salt forms with inorganic anions
Acta Crystallographica Section C, 2019, 75, 1-7
2021412 CIF
HKL
Paper
C20 H22 N5 O3.5 SP 1 21/n 113.0053; 7.7965; 20.8703
90; 107.887; 90
2013.87Araujo, Vinicius Oliveira; Tirloni, Bárbara; Streit, Lívia; Schwade, Vânia Denise
Neutral 4-phenyl-1-[phenyl(pyridin-2-yl)methylidene]semicarbazide and its salt forms with inorganic anions
Acta Crystallographica Section C, 2019, 75, 1-7
2021413 CIFC4 H12 Br4 O2 S2 SnP 1 21/n 17.7728; 14.676; 13.632
90; 91.11; 90
1554.8Gregorkiewitz M; Tudela D
STRUCTURE AND PSEUDOSYMMETRY OF TETRABROMOBIS(DIMETHYL SULFOXIDE)TIN(IV)
Acta Crystallographica C, 1990, 46, 210-213
2021415 CIF
HKL
Paper
C5 H16 N6 O4P b c a12.3448; 9.9435; 16.9904
90; 90; 90
2085.6Roodt, Gerhard T.; Uprety, Bhawna; Levendis, Demetrius C.; Arderne, Charmaine
Energetic propane-1,3-diaminium and butane-1,4-diaminium salts of <i>N</i>,<i>N</i>'-dinitroethylenediazanide: syntheses, crystal structures and thermal properties
Acta Crystallographica Section C, 2019, 75, 54-60
2021416 CIF
HKL
Paper
C6 H18 N6 O4P 1 21/n 15.408; 7.203; 14.288
90; 98.03; 90
551.1Roodt, Gerhard T.; Uprety, Bhawna; Levendis, Demetrius C.; Arderne, Charmaine
Energetic propane-1,3-diaminium and butane-1,4-diaminium salts of <i>N</i>,<i>N</i>'-dinitroethylenediazanide: syntheses, crystal structures and thermal properties
Acta Crystallographica Section C, 2019, 75, 54-60
2021417 CIF
HKL
Paper
C40 H28 Eu N9 O19P -19.8247; 15.2829; 15.9914
109.498; 103.761; 106.11
2024.57Xiang, Zheng; Shan, Yue-Bin; Li, Tao; Huang, Chang-Cang; Huang, Xi-He; Lin, Mei-Jin
Four isostructural lanthanide(III) coordination compounds based on a new <i>N</i>-oxydic pyridyl naphthalenediimide ligand: synthesis and characterization
Acta Crystallographica Section C, 2019, 75, 38-45
2021418 CIF
HKL
Paper
C40 H28 Gd N9 O19P -19.8335; 15.3314; 16.0227
109.641; 103.642; 106.064
2036.8Xiang, Zheng; Shan, Yue-Bin; Li, Tao; Huang, Chang-Cang; Huang, Xi-He; Lin, Mei-Jin
Four isostructural lanthanide(III) coordination compounds based on a new <i>N</i>-oxydic pyridyl naphthalenediimide ligand: synthesis and characterization
Acta Crystallographica Section C, 2019, 75, 38-45
2021419 CIF
HKL
Paper
C40 H28 Dy N9 O19P -19.8244; 15.2522; 15.9247
109.461; 103.6; 106.05
2016.2Xiang, Zheng; Shan, Yue-Bin; Li, Tao; Huang, Chang-Cang; Huang, Xi-He; Lin, Mei-Jin
Four isostructural lanthanide(III) coordination compounds based on a new <i>N</i>-oxydic pyridyl naphthalenediimide ligand: synthesis and characterization
Acta Crystallographica Section C, 2019, 75, 38-45
2021420 CIF
HKL
Paper
C40 H28 Er N9 O19P -19.8242; 15.2333; 15.8956
109.532; 103.449; 106.019
2011.59Xiang, Zheng; Shan, Yue-Bin; Li, Tao; Huang, Chang-Cang; Huang, Xi-He; Lin, Mei-Jin
Four isostructural lanthanide(III) coordination compounds based on a new <i>N</i>-oxydic pyridyl naphthalenediimide ligand: synthesis and characterization
Acta Crystallographica Section C, 2019, 75, 38-45
2021421 CIF
HKL
Paper
C19 H20 Cl N4 O4.5C 1 2/c 114.9367; 15.791; 33.5896
90; 100.123; 90
7799.3Faroque, Muhammad Umer; Noureen, Sajida; Mirza, Shafaat Hussain; Tahir, Muhammad Nawaz; Ahmed, Maqsood
Structure and electrostatic properties of the pyrimethamine‒3,5-dihydroxybenzoic acid cocrystal in water solvent studied using transferred electron-density parameters
Acta Crystallographica Section C, 2019, 75, 46-53
2021422 CIF
HKL
C19 H20 Cl N4 O4.5C 1 2/c 114.9367; 15.791; 33.5896
90; 100.123; 90
7799.3Faroque, Muhammad Umer; Noureen, Sajida; Mirza, Shafaat Hussain; Tahir, Muhammad Nawaz; Ahmed, Maqsood
Structure and electrostatic properties of the pyrimethamine‒3,5-dihydroxybenzoic acid cocrystal in water solvent studied using transferred electron-density parameters
Acta Crystallographica Section C, 2019, 75, 46-53
2021423 CIF
HKL
C19 H20 Cl N4 O4.5C 1 2/c 114.9367; 15.791; 33.5896
90; 100.123; 90
7799.3Faroque, Muhammad Umer; Noureen, Sajida; Mirza, Shafaat Hussain; Tahir, Muhammad Nawaz; Ahmed, Maqsood
Structure and electrostatic properties of the pyrimethamine‒3,5-dihydroxybenzoic acid cocrystal in water solvent studied using transferred electron-density parameters
Acta Crystallographica Section C, 2019, 75, 46-53
2021427 CIF
HKL
Paper
C30 H36 N2 O3 S2P 43 21 29.0917; 9.0917; 68.392
90; 90; 90
5653.2Cole, Wyatt; Hemmingson, Stephanie L.; Eisenberg, Audrey C.; Ulman, Catherine A.; Tanski, Joseph M.; Getzler, Yutan D. Y. L.
Synthesis and crystal structures of some bis(3-methyl-1<i>H</i>-indol-2-yl)(salicyl)methanes
Acta Crystallographica Section C, 2019, 75, 65-69
2021428 CIF
HKL
Paper
C29 H32 Cl2 N2 O3 S2P -18.9836; 10.9082; 15.782
72.406; 83.232; 83.086
1458.1Cole, Wyatt; Hemmingson, Stephanie L.; Eisenberg, Audrey C.; Ulman, Catherine A.; Tanski, Joseph M.; Getzler, Yutan D. Y. L.
Synthesis and crystal structures of some bis(3-methyl-1<i>H</i>-indol-2-yl)(salicyl)methanes
Acta Crystallographica Section C, 2019, 75, 65-69
2021429 CIF
HKL
C14 H12 O2 SeP 1 21/c 18.8185; 17.4773; 7.9793
90; 108.328; 90
1167.41Venkateshwaran, Krishnan; Deka, Rajesh; Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.
Hypervalent organoselenium compounds stabilized by intramolecular coordination: synthesis and crystal structures
Acta Crystallographica Section C, 2019, 75
2021430 CIF
HKL
C14 H12 O Se2P 1 21/c 17.1083; 13.8408; 12.5601
90; 92.663; 90
1234.39Venkateshwaran, Krishnan; Deka, Rajesh; Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.
Hypervalent organoselenium compounds stabilized by intramolecular coordination: synthesis and crystal structures
Acta Crystallographica Section C, 2019, 75
2021431 CIF
HKL
Paper
C15 H25 N O3P 1 21/n 116.0344; 5.4375; 17.8512
90; 100.731; 90
1529.18Rossi, Patrizia; Paoli, Paola; Chelazzi, Laura; Conti, Luca; Bencini, Andrea
The solid-state structure of the β-blocker metoprolol: a combined experimental and in silico investigation
Acta Crystallographica Section C Structural Chemistry, 2019, 75
2021432 CIF
HKL
Paper
C26 H24 N4P 1 21/c 18.128; 8.2147; 32.9809
90; 90.252; 90
2202.08Tan, Xue-Jie; Zhang, Ling-Yao; Sun, Yuan-Kai; Zhou, Xue-Min
Synthesis, structure and antiproliferative and optical activities of two new biphenyl-derived Schiff bases
Acta Crystallographica Section C, 2019, 75
2021435 CIF
Paper
C38 H48 Cl2 N4 O4 S2P 1 21/c 18.8247; 26.4201; 8.7393
90; 103.07; 90
1984.78Borodi, Gheorghe; Turza, Alexandru; Onija, Oana; Bende, Attila
Succinic, fumaric, adipic and oxalic acid cocrystals of promethazine hydrochloride
Acta Crystallographica Section C, 2019, 75, 107-119
2021436 CIF
HKL
Paper
C38 H46 Cl2 N4 O4 S2P 1 21/c 18.7741; 25.8762; 8.6007
90; 102.92; 90
1903.27Borodi, Gheorghe; Turza, Alexandru; Onija, Oana; Bende, Attila
Succinic, fumaric, adipic and oxalic acid cocrystals of promethazine hydrochloride
Acta Crystallographica Section C, 2019, 75, 107-119
2021437 CIF
HKL
Paper
C40 H52 Cl2 N4 O4 S2P 1 21/c 18.8988; 27.7992; 8.7933
90; 103.484; 90
2115.32Borodi, Gheorghe; Turza, Alexandru; Onija, Oana; Bende, Attila
Succinic, fumaric, adipic and oxalic acid cocrystals of promethazine hydrochloride
Acta Crystallographica Section C, 2019, 75, 107-119
2021438 CIF
HKL
Paper
C36 H44 Cl2 N4 O4 S2P 1 21/n 110.5507; 12.4382; 14.2966
90; 100.445; 90
1845.08Borodi, Gheorghe; Turza, Alexandru; Onija, Oana; Bende, Attila
Succinic, fumaric, adipic and oxalic acid cocrystals of promethazine hydrochloride
Acta Crystallographica Section C, 2019, 75, 107-119
2021439 CIF
HKL
Paper
C19 H22 N2 O4 SP -18.684; 11.3871; 20.0923
104.106; 90.386; 108.34
1821.53Borodi, Gheorghe; Turza, Alexandru; Onija, Oana; Bende, Attila
Succinic, fumaric, adipic and oxalic acid cocrystals of promethazine hydrochloride
Acta Crystallographica Section C, 2019, 75, 107-119
2021440 CIF
HKL
Paper
C7 H12 As N O5P -15.5235; 9.4385; 10.4633
70.769; 75.984; 89.624
498.12Harchani, Ali; Trzybiński, Damian; Pawledzio, Sylwia; Woźniak, Krzysztof; Haddad, Amor
Crystallographic and computational studies of a new organoarsenate compound: <i>o</i>-anisidinium dihydroarsenate
Acta Crystallographica Section C, 2019, 75
2021441 CIF
HKL
Paper
C5 H7 Cd Cl2 N3 O3P -16.9452; 7.8334; 9.9918
98.677; 97.359; 111.725
489.093Bouchene, Rafika; Bouacida, Sofiane
Syntheses, supramolecular networks and Hirshfeld surface and thermal analyses of two new cadmium chloride coordination polymers with an <i>N</i>,<i>O</i>-chelating ligand
Acta Crystallographica Section C, 2019, 75
2021442 CIF
HKL
Paper
C10 H12 Cd Cl2 N6 O5P c a b7.2637; 17.7011; 24.3144
90; 90; 90
3126.24Bouchene, Rafika; Bouacida, Sofiane
Syntheses, supramolecular networks and Hirshfeld surface and thermal analyses of two new cadmium chloride coordination polymers with an <i>N</i>,<i>O</i>-chelating ligand
Acta Crystallographica Section C, 2019, 75
2021443 CIF
HKL
Paper
C2 H10 Co6 O15P -6 2 m10.3236; 10.3236; 3.12244
90; 90; 120
288.2Prateek Bhojane; Armel Le Bail; Parasharam M. Shirage
A quarter of a century after its synthesis and with >200 papers based on its use, `Co(CO~3~)~0.5~(OH)\χdot0.11H~2~O' proves to be Co~6~(CO~3~)~2~(OH)~8~\χdotH~2~O from synchrotron powder diffraction data
Acta Crystallographica, Section C, 2019, 75, 61-64
2021444 CIF
HKL
Paper
C27 H21 Cd N5 O9P 1 21/c 112.829; 15.854; 20.769
90; 122.215; 90
3574Qin, Tao; Zhang, Shunlin; Wang, Yixiong; Hou, Tianjiao; Zhu, Dunru; Jing, Su
Three novel topologically different metal‒organic frameworks built from 3-nitro-4-(pyridin-4-yl)benzoic acid
Acta Crystallographica Section C, 2019, 75
2021445 CIF
HKL
Paper
C38 H24 Cd2 N6 O14P -18.342; 13.903; 23.568
86.84; 89.264; 78.826
2677Qin, Tao; Zhang, Shunlin; Wang, Yixiong; Hou, Tianjiao; Zhu, Dunru; Jing, Su
Three novel topologically different metal‒organic frameworks built from 3-nitro-4-(pyridin-4-yl)benzoic acid
Acta Crystallographica Section C, 2019, 75
2021446 CIF
HKL
Paper
C32 H36 N6 Ni O12P -111.866; 12.259; 14.248
98.341; 93.604; 117.018
1807Qin, Tao; Zhang, Shunlin; Wang, Yixiong; Hou, Tianjiao; Zhu, Dunru; Jing, Su
Three novel topologically different metal‒organic frameworks built from 3-nitro-4-(pyridin-4-yl)benzoic acid
Acta Crystallographica Section C, 2019, 75
2021447 CIF
HKL
Paper
C26 H18 N2 O10 Zn2P -17.7926; 8.2969; 9.7964
73.953; 76.973; 71.184
569.67Su, Feng; Zhou, Cheng-Yong; Wu, Lin-Tao; Wu, Xi; Han, Chun; Wang, Zhi-Jun
Synthesis, structure and selective luminescence sensing for iron(III) ions of a three-dimensional zinc(II) (4,6)-connected coordination network
Acta Crystallographica Section C, 2019, 75
2021448 CIF
HKL
Paper
C28 H26 Cl2 N2 O4 ZnP -19.1926; 10.6101; 14.8057
94.188; 97.716; 114.409
1289.8Hajiashrafi, Taraneh; Zekriazadeh, Roghayeh; Flanagan, Keith J.; Kia, Farnoush; Bauzá, Antonio; Frontera, Antonio; Senge, Mathias O.
The role of π‒π stacking and hydrogen-bonding interactions in the assembly of a series of isostructural group IIB coordination compounds
Acta Crystallographica Section C, 2019, 75, 178-188
2021449 CIF
HKL
Paper
C28 H26 I2 N2 O4 ZnP -19.2709; 10.02; 16.248
98.56; 100.5; 110.09
1356.7Hajiashrafi, Taraneh; Zekriazadeh, Roghayeh; Flanagan, Keith J.; Kia, Farnoush; Bauzá, Antonio; Frontera, Antonio; Senge, Mathias O.
The role of π‒π stacking and hydrogen-bonding interactions in the assembly of a series of isostructural group IIB coordination compounds
Acta Crystallographica Section C, 2019, 75, 178-188
2021450 CIF
HKL
Paper
C28 H26 Br2 Cd N2 O4P -19.2772; 10.0935; 16.1021
97.699; 100.586; 111.149
1348.92Hajiashrafi, Taraneh; Zekriazadeh, Roghayeh; Flanagan, Keith J.; Kia, Farnoush; Bauzá, Antonio; Frontera, Antonio; Senge, Mathias O.
The role of π‒π stacking and hydrogen-bonding interactions in the assembly of a series of isostructural group IIB coordination compounds
Acta Crystallographica Section C, 2019, 75, 178-188
2021451 CIF
HKL
Paper
C28 H26 Cd I2 N2 O4P -19.32; 10.0498; 16.6239
99.14; 100.528; 109.332
1403.58Hajiashrafi, Taraneh; Zekriazadeh, Roghayeh; Flanagan, Keith J.; Kia, Farnoush; Bauzá, Antonio; Frontera, Antonio; Senge, Mathias O.
The role of π‒π stacking and hydrogen-bonding interactions in the assembly of a series of isostructural group IIB coordination compounds
Acta Crystallographica Section C, 2019, 75, 178-188
2021452 CIF
HKL
Paper
C28 H26 Cl2 Hg N2 O4P -19.2456; 10.151; 15.8499
96.5447; 99.7441; 112.674
1326.25Hajiashrafi, Taraneh; Zekriazadeh, Roghayeh; Flanagan, Keith J.; Kia, Farnoush; Bauzá, Antonio; Frontera, Antonio; Senge, Mathias O.
The role of π‒π stacking and hydrogen-bonding interactions in the assembly of a series of isostructural group IIB coordination compounds
Acta Crystallographica Section C, 2019, 75, 178-188
2021453 CIF
HKL
Paper
C28 H26 Hg I2 N2 O4P -19.2783; 10.006; 16.695
98.777; 100.296; 109.396
1400.4Hajiashrafi, Taraneh; Zekriazadeh, Roghayeh; Flanagan, Keith J.; Kia, Farnoush; Bauzá, Antonio; Frontera, Antonio; Senge, Mathias O.
The role of π‒π stacking and hydrogen-bonding interactions in the assembly of a series of isostructural group IIB coordination compounds
Acta Crystallographica Section C, 2019, 75, 178-188
2021454 CIF
HKL
Paper
C14 H15 Cl2 N O4P -18.858; 9.328; 10.526
96.039; 112.651; 108.99
732Guerrero, Sergio A.; Ramírez, Juan E.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
A concise and versatile route to tetrahydro-1-benzazepines carrying [<i>a</i>]-fused heterocyclic units: synthetic sequence and spectroscopic characterization, and the molecular and supramolecular structures of one intermediate and two products
Acta Crystallographica Section C, 2019, 75
2021455 CIF
HKL
Paper
C15 H17 Cl N2 O4P 1 2/c 19.198; 10.586; 15.223
90; 105.56; 90
1427.9Guerrero, Sergio A.; Ramírez, Juan E.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
A concise and versatile route to tetrahydro-1-benzazepines carrying [<i>a</i>]-fused heterocyclic units: synthetic sequence and spectroscopic characterization, and the molecular and supramolecular structures of one intermediate and two products
Acta Crystallographica Section C, 2019, 75
2021456 CIF
HKL
Paper
C12 H12 Cl N3 O2P -15.595; 8.377; 12.712
98.1; 100.1; 101.76
564.5Guerrero, Sergio A.; Ramírez, Juan E.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
A concise and versatile route to tetrahydro-1-benzazepines carrying [<i>a</i>]-fused heterocyclic units: synthetic sequence and spectroscopic characterization, and the molecular and supramolecular structures of one intermediate and two products
Acta Crystallographica Section C, 2019, 75
2021457 CIF
HKL
Paper
C22 H17 N5 O6 ZnP 1 21/c 112.568; 13.324; 14.207
90; 110.912; 90
2222.3Chen, Ning-Ning; Ni, Jian-Ning; Wang, Jun; Tao, Jian-Qing
A new two-dimensional Zn^II^ coordination polymer based on 1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene and 5-nitrobenzene-1,3-dicarboxylic acid: synthesis, crystal structure and physical properties
Acta Crystallographica Section C, 2019, 75, 196-199
2021458 CIF
HKL
Paper
C17 H21 N3 O3P -16.6076; 7.6668; 16.5297
94.565; 93.48; 94.758
829.94Madeley, Lee G.; Levendis, Demetrius C.; Lemmerer, Andreas
Covalent-assisted supramolecular synthesis: the effect of hydrogen bonding in cocrystals of 4-<i>tert</i>-butylbenzoic acid with isoniazid and its derivatized forms
Acta Crystallographica Section C, 2019, 75
2021459 CIF
HKL
Paper
C20 H25 N3 O3P 1 21/c 114.2337; 13.7116; 20.3233
90; 99.298; 90
3914.3Madeley, Lee G.; Levendis, Demetrius C.; Lemmerer, Andreas
Covalent-assisted supramolecular synthesis: the effect of hydrogen bonding in cocrystals of 4-<i>tert</i>-butylbenzoic acid with isoniazid and its derivatized forms
Acta Crystallographica Section C, 2019, 75
2021460 CIF
HKL
Paper
C21 H27 N3 O3P 1 21/c 114.7663; 13.7022; 20.4647
90; 99.279; 90
4086.5Madeley, Lee G.; Levendis, Demetrius C.; Lemmerer, Andreas
Covalent-assisted supramolecular synthesis: the effect of hydrogen bonding in cocrystals of 4-<i>tert</i>-butylbenzoic acid with isoniazid and its derivatized forms
Acta Crystallographica Section C, 2019, 75
2021461 CIF
HKL
Paper
C30 H29 N3 O3P 1 21 17.6967; 10.1984; 15.9931
90; 93.505; 90
1253.01Madeley, Lee G.; Levendis, Demetrius C.; Lemmerer, Andreas
Covalent-assisted supramolecular synthesis: the effect of hydrogen bonding in cocrystals of 4-<i>tert</i>-butylbenzoic acid with isoniazid and its derivatized forms
Acta Crystallographica Section C, 2019, 75
2021462 CIF
HKL
Paper
C23 H31 N3 O4P 1 21/c 120.3803; 6.9598; 17.2533
90; 107.838; 90
2329.61Madeley, Lee G.; Levendis, Demetrius C.; Lemmerer, Andreas
Covalent-assisted supramolecular synthesis: the effect of hydrogen bonding in cocrystals of 4-<i>tert</i>-butylbenzoic acid with isoniazid and its derivatized forms
Acta Crystallographica Section C, 2019, 75
2021463 CIF
HKL
Paper
C26 H25 N OP 21 21 219.6571; 13.0874; 16.4113
90; 90; 90
2074.16Capozzi, Maria Annunziata M.; Terraneo, Giancarlo; Cardellicchio, Cosimo
Structural insights into methyl- or methoxy-substituted 1-(α-aminobenzyl)-2-naphthol structures: the role of C—H···π interactions
Acta Crystallographica Section C, 2019, 75
2021464 CIF
HKL
Paper
C26 H25 N O2P 21 21 2111.74; 11.933; 14.662
90; 90; 90
2054Capozzi, Maria Annunziata M.; Terraneo, Giancarlo; Cardellicchio, Cosimo
Structural insights into methyl- or methoxy-substituted 1-(α-aminobenzyl)-2-naphthol structures: the role of C—H···π interactions
Acta Crystallographica Section C, 2019, 75
2021465 CIF
HKL
Paper
K2 O12 P3 Ta0.5 Tb1.5P 21 310.3262; 10.3262; 10.3262
90; 90; 90
1101.09Xue, Ya-Li; Zhao, Dan; Zhang, Shi-Rui; Li, Ya-Nan; Fan, Yan-Ping
A new disordered langbeinite-type compound, K~2~Tb~1.5~Ta~0.5~P~3~O~12~, and Eu^3+^-doped multicolour light-emitting properties
Acta Crystallographica Section C, 2019, 75, 213-220
2021466 CIF
HKL
Paper
C4 H9 N O4P 1 21/n 19.3716; 11.7529; 11.2357
90; 90.187; 90
1237.5Kats, Eynav; Bernstein, Joel; Lemmerer, Andreas
A new polymorph of ammonium succinate ‒ serendipity in action
Acta Crystallographica Section C, 2019, 75, 208-212
2021467 CIF
HKL
Paper
C32 H43 Gd2 N3 O17P 1 21/n 19.3992; 17.6714; 11.2971
90; 94.318; 90
1871.1Hao, Hongguo; Liu, Hongyan; Wang, Yuchen; Yuan, Suxian; Xu, Han; Zhang, Jingyue; Wang, Ying; Li, Dacheng; Sun, Junshan
A series of two-dimensional lanthanide coordination polymers: synthesis, structures, magnetism and selective luminescence detection for heavy metal ions and toxic solvents
Acta Crystallographica Section C, 2019, 75, 221-230
2021468 CIF
HKL
Paper
C32 H43 Dy2 N3 O17P 1 21/n 19.3529; 17.6217; 11.3758
90; 94.494; 90
1869.1Hao, Hongguo; Liu, Hongyan; Wang, Yuchen; Yuan, Suxian; Xu, Han; Zhang, Jingyue; Wang, Ying; Li, Dacheng; Sun, Junshan
A series of two-dimensional lanthanide coordination polymers: synthesis, structures, magnetism and selective luminescence detection for heavy metal ions and toxic solvents
Acta Crystallographica Section C, 2019, 75, 221-230
2021469 CIF
HKL
Paper
C28 H34 N2 Nd2 O16P 1 21/n 19.5383; 17.966; 11.3703
90; 94.402; 90
1942.7Hao, Hongguo; Liu, Hongyan; Wang, Yuchen; Yuan, Suxian; Xu, Han; Zhang, Jingyue; Wang, Ying; Li, Dacheng; Sun, Junshan
A series of two-dimensional lanthanide coordination polymers: synthesis, structures, magnetism and selective luminescence detection for heavy metal ions and toxic solvents
Acta Crystallographica Section C, 2019, 75, 221-230
2021470 CIF
HKL
Paper
C28 H34 N2 O16 Sm2P 1 21/n 19.4469; 17.8037; 11.3621
90; 94.319; 90
1905.6Hao, Hongguo; Liu, Hongyan; Wang, Yuchen; Yuan, Suxian; Xu, Han; Zhang, Jingyue; Wang, Ying; Li, Dacheng; Sun, Junshan
A series of two-dimensional lanthanide coordination polymers: synthesis, structures, magnetism and selective luminescence detection for heavy metal ions and toxic solvents
Acta Crystallographica Section C, 2019, 75, 221-230
2021471 CIF
HKL
C20 H20 N O3 PP 1 21 111.3449; 7.3527; 11.8641
90; 113.623; 90
906.72Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Nečas, Marek; Damodaran, Krishnan
Two single-enantiomer amidophosphoesters: a database study on the chirality of (O)~2~P(O)(N)-based structures
Acta Crystallographica Section C, 2019, 75, 77-84
2021472 CIF
HKL
C20 H20 N O3 PP 1 21 111.3482; 7.3589; 11.8714
90; 113.686; 90
907.87Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Nečas, Marek; Damodaran, Krishnan
Two single-enantiomer amidophosphoesters: a database study on the chirality of (O)~2~P(O)(N)-based structures
Acta Crystallographica Section C, 2019, 75, 77-84
2021473 CIF
HKL
Paper
C25 H28 Cl2 N O3 TaP -18.33; 11.557; 12.426
84.484; 86.07; 86.04
1185.6Trávníček, Zdeněk; Štarha, Pavel; Čajan, Michal; Dvořák, Zdeněk
A half-sandwich TaV dichlorido complex containing an O,N,O′-tridentate Schiff base ligand: synthesis, crystal structure and in vitro cytotoxicity
Acta Crystallographica Section C Structural Chemistry, 2019, 75
2021474 CIF
HKL
Paper
C4 H6 N4 O4P 21 21 216.6562; 8.3692; 12.5687
90; 90; 90
700.17Jaćimović, Željko K.; Novaković, Sladjana B.; Bogdanović, Goran A.; Giester, Gerald; Kosović, Milica; Libowitzky, Eugen
First crystal structures of metal complexes with a 4-nitropyrazole-3-carboxylic acid ligand and the third crystal form of the ligand
Acta Crystallographica Section C, 2019, 75
2021475 CIF
HKL
Paper
C14 H20 Cu2 N8 O12P -15.0863; 8.811; 12.7192
83.977; 88.281; 82.743
562.25Jaćimović, Željko K.; Novaković, Sladjana B.; Bogdanović, Goran A.; Giester, Gerald; Kosović, Milica; Libowitzky, Eugen
First crystal structures of metal complexes with a 4-nitropyrazole-3-carboxylic acid ligand and the third crystal form of the ligand
Acta Crystallographica Section C, 2019, 75
2021476 CIF
HKL
Paper
C8 H18 Co2 N6 O16P 1 21/c 18.9689; 6.4035; 16.4509
90; 102.93; 90
920.86Jaćimović, Željko K.; Novaković, Sladjana B.; Bogdanović, Goran A.; Giester, Gerald; Kosović, Milica; Libowitzky, Eugen
First crystal structures of metal complexes with a 4-nitropyrazole-3-carboxylic acid ligand and the third crystal form of the ligand
Acta Crystallographica Section C, 2019, 75
2021477 CIF
HKL
Paper
C22 H23 O4 PP b c a16.7332; 8.2012; 28.0902
90; 90; 90
3854.9Rádai, Zita; Kiss, Nóra Zsuzsa; Czugler, Mátyás; Karaghiosoff, Konstantin; Keglevich, György
The typical crystal structures of a few representative α-aryl-α-hydroxyphosphonates
Acta Crystallographica Section C, 2019, 75
2021478 CIF
HKL
Paper
C21 H20 Cl O4 PP 1 21 110.4239; 7.8757; 12.0461
90; 103.775; 90
960.49Rádai, Zita; Kiss, Nóra Zsuzsa; Czugler, Mátyás; Karaghiosoff, Konstantin; Keglevich, György
The typical crystal structures of a few representative α-aryl-α-hydroxyphosphonates
Acta Crystallographica Section C, 2019, 75
2021479 CIF
HKL
Paper
C21 H20 N O6 PP -110.0795; 13.853; 15.9354
111.11; 90.852; 106.326
1975.23Rádai, Zita; Kiss, Nóra Zsuzsa; Czugler, Mátyás; Karaghiosoff, Konstantin; Keglevich, György
The typical crystal structures of a few representative α-aryl-α-hydroxyphosphonates
Acta Crystallographica Section C, 2019, 75
2021480 CIF
HKL
Paper
C10 H14 N O6 PP -18.18; 8.4006; 9.9661
102.173; 94.897; 107.504
630.26Rádai, Zita; Kiss, Nóra Zsuzsa; Czugler, Mátyás; Karaghiosoff, Konstantin; Keglevich, György
The typical crystal structures of a few representative α-aryl-α-hydroxyphosphonates
Acta Crystallographica Section C, 2019, 75
2021481 CIF
HKL
Paper
C10 H15 O4 PP 1 21/c 18.478; 17.237; 8.1357
90; 106.484; 90
1140.05Rádai, Zita; Kiss, Nóra Zsuzsa; Czugler, Mátyás; Karaghiosoff, Konstantin; Keglevich, György
The typical crystal structures of a few representative α-aryl-α-hydroxyphosphonates
Acta Crystallographica Section C, 2019, 75
2021482 CIF
HKL
Paper
C11 H17 O6 PC 1 2/c 139.464; 8.5132; 8.0044
90; 100.62; 90
2643.1Rádai, Zita; Kiss, Nóra Zsuzsa; Czugler, Mátyás; Karaghiosoff, Konstantin; Keglevich, György
The typical crystal structures of a few representative α-aryl-α-hydroxyphosphonates
Acta Crystallographica Section C, 2019, 75
2021483 CIF
Paper
C9 H13 O4 PP 1 21/n 18.4039; 7.7007; 16.6012
90; 99.149; 90
1060.69Rádai, Zita; Kiss, Nóra Zsuzsa; Czugler, Mátyás; Karaghiosoff, Konstantin; Keglevich, György
The typical crystal structures of a few representative α-aryl-α-hydroxyphosphonates
Acta Crystallographica Section C, 2019, 75
2021484 CIF
HKL
Paper
C18 H17 F3 N2 O2P 1 21/c 115.0494; 14.2369; 7.9898
90; 99.025; 90
1690.68Clarkson, Guy J.; Farrán, M. Ángeles; Claramunt, Rosa M.; Alkorta, Ibon; Elguero, José
The structure of the anti-aging agent J147 used for treating Alzheimer's disease
Acta Crystallographica Section C, 2019, 75
2021485 CIF
HKL
Paper
C52 H38 Cl7 Mn N8P -111.3475; 14.2479; 16.4138
92.51; 99.529; 108.699
2465.63Lahanas, Nicole; Kucheryavy, Pavel; Lalancette, Roger A.; Lockard, Jenny V.
Crystallographic identification of a series of manganese porphyrin complexes with nitrogenous bases
Acta Crystallographica Section C, 2019, 75
2021486 CIF
HKL
Paper
C54 H50 Cl Mn N6P -110.5211; 11.9123; 12.6355
66.1342; 78.3107; 89.5778
1413.24Lahanas, Nicole; Kucheryavy, Pavel; Lalancette, Roger A.; Lockard, Jenny V.
Crystallographic identification of a series of manganese porphyrin complexes with nitrogenous bases
Acta Crystallographica Section C, 2019, 75
2021487 CIF
HKL
Paper
C59 H43 Cl Mn N7P -111.0499; 12.1051; 18.5362
90.177; 90.324; 110.537
2321.76Lahanas, Nicole; Kucheryavy, Pavel; Lalancette, Roger A.; Lockard, Jenny V.
Crystallographic identification of a series of manganese porphyrin complexes with nitrogenous bases
Acta Crystallographica Section C, 2019, 75
2021488 CIF
HKL
Paper
C63 H60 Cl Mn N8 O0.25P -111.4402; 13.4019; 18.6407
95.774; 92.199; 113.63
2595.35Lahanas, Nicole; Kucheryavy, Pavel; Lalancette, Roger A.; Lockard, Jenny V.
Crystallographic identification of a series of manganese porphyrin complexes with nitrogenous bases
Acta Crystallographica Section C, 2019, 75
2021489 CIF
HKL
Paper
C7 H13 N O8P -14.9272; 8.6072; 12.1525
108.617; 97.37; 92.763
482.19Losev, Evgeniy A.; Boldyreva, Elena
Concomitant cocrystal and salt: no interconversion in the solid state
Acta Crystallographica Section C, 2019, 75
2021490 CIF
HKL
Paper
C7 H13 N O8P -14.9195; 8.5997; 12.0667
108.576; 97.152; 92.576
478.19Losev, Evgeniy A.; Boldyreva, Elena
Concomitant cocrystal and salt: no interconversion in the solid state
Acta Crystallographica Section C, 2019, 75
2021491 CIF
HKL
Paper
C7 H13 N O8P -14.9101; 8.5883; 11.9978
108.535; 96.969; 92.427
474.39Losev, Evgeniy A.; Boldyreva, Elena
Concomitant cocrystal and salt: no interconversion in the solid state
Acta Crystallographica Section C, 2019, 75
2021492 CIF
HKL
Paper
C7 H13 N O8P -14.9001; 8.5768; 11.9523
108.503; 96.781; 92.316
471.4Losev, Evgeniy A.; Boldyreva, Elena
Concomitant cocrystal and salt: no interconversion in the solid state
Acta Crystallographica Section C, 2019, 75
2021493 CIF
HKL
Paper
C7 H13 N O8P -14.8948; 8.5707; 11.9179
108.459; 96.649; 92.235
469.54Losev, Evgeniy A.; Boldyreva, Elena
Concomitant cocrystal and salt: no interconversion in the solid state
Acta Crystallographica Section C, 2019, 75
2021494 CIF
HKL
Paper
C7 H13 N O8P -14.901; 8.5623; 11.9502
108.338; 96.669; 92.426
471.13Losev, Evgeniy A.; Boldyreva, Elena
Concomitant cocrystal and salt: no interconversion in the solid state
Acta Crystallographica Section C, 2019, 75
2021495 CIF
HKL
Paper
C7 H13 N O8P -14.9089; 8.5742; 11.9896
108.411; 96.813; 92.501
473.67Losev, Evgeniy A.; Boldyreva, Elena
Concomitant cocrystal and salt: no interconversion in the solid state
Acta Crystallographica Section C, 2019, 75
2021496 CIF
HKL
Paper
C7 H13 N O8P -14.9142; 8.5934; 12.0281
108.563; 97.059; 92.493
476.02Losev, Evgeniy A.; Boldyreva, Elena
Concomitant cocrystal and salt: no interconversion in the solid state
Acta Crystallographica Section C, 2019, 75

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