Search results

Formula: - C68 H64 N14 O20 S4 -
Comments: Liu, 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 75(1) (2019) 29-37
Space group: P -1
Cell volume: 1689.87
Cell parameters: 9.1561; 12.766; 15.1022; 83.03; 75.313; 83.972;

COD ID: 2021405

Formula: - C34 H32 N6 O12 S2 -
Comments: Liu, 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 75(1) (2019) 29-37
Space group: P -1
Cell volume: 851.61
Cell parameters: 7.6779; 8.4177; 14.3934; 79.528; 74.65; 72.82;

COD ID: 2021406

Formula: - C116 H192.8 O105 -
Comments: Aree, Thammarat Inclusion complex of β-cyclodextrin with coffee chlorogenic acid: new insights from a combined crystallographic and theoretical study Acta Crystallographica Section C 75(1) (2019) 15-21
Space group: C 2 2 21
Cell volume: 14274.6
Cell parameters: 19.0698; 24.1017; 31.0577; 90; 90; 90;

COD ID: 2021407

Formula: - C42 H39 N4 O10.5 Zn -
Comments: Chen, 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(1H-imidazol-1-yl)fluorene: synthesis, structure and luminescence properties Acta Crystallographica Section C 75(1) (2019) 8-14
Space group: P c a a
Cell volume: 3806
Cell parameters: 11.099; 12.917; 26.55; 90; 90; 90;

COD ID: 2021408

Formula: - C5 H7 N5 O2 -
Comments: Laos, Roberto; Lampropoulos, Christos; Benner, Steven A. The surprising pairing of 2-aminoimidazo[1,2-a][1,3,5]triazin-4-one, a component of an expanded DNA alphabet Acta Crystallographica Section C 75(1) (2019) 22-28
Space group: C 1 2/c 1
Cell volume: 1350.9
Cell parameters: 16.357; 3.712; 22.723; 90; 101.72; 90;

COD ID: 2021409

Formula: - C19 H16 N4 O -
Comments: Araujo, 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 75(1) (2019) 1-7
Space group: P 1 21/c 1
Cell volume: 1539.02
Cell parameters: 5.6126; 10.0683; 27.2349; 90; 90.095; 90;

COD ID: 2021410

Formula: - C19 H21 Cl N4 O3 -
Comments: Araujo, 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 75(1) (2019) 1-7
Space group: P 1 21/c 1
Cell volume: 1889.5
Cell parameters: 9.4452; 9.5489; 21.039; 90; 95.26; 90;

COD ID: 2021411

Formula: - C19 H21 N5 O6 -
Comments: Araujo, 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 75(1) (2019) 1-7
Space group: P 1 21/c 1
Cell volume: 1969.25
Cell parameters: 9.5556; 9.305; 22.2715; 90; 96.048; 90;

COD ID: 2021412

Formula: - C20 H22 N5 O3.5 S -
Comments: Araujo, 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 75(1) (2019) 1-7
Space group: P 1 21/n 1
Cell volume: 2013.87
Cell parameters: 13.0053; 7.7965; 20.8703; 90; 107.887; 90;

COD ID: 2021415

Formula: - C5 H16 N6 O4 -
Comments: Roodt, Gerhard T.; Uprety, Bhawna; Levendis, Demetrius C.; Arderne, Charmaine Energetic propane-1,3-diaminium and butane-1,4-diaminium salts of N,N'-dinitroethylenediazanide: syntheses, crystal structures and thermal properties Acta Crystallographica Section C 75(1) (2019) 54-60
Space group: P b c a
Cell volume: 2085.6
Cell parameters: 12.3448; 9.9435; 16.9904; 90; 90; 90;

COD ID: 2021416

Formula: - C6 H18 N6 O4 -
Comments: Roodt, Gerhard T.; Uprety, Bhawna; Levendis, Demetrius C.; Arderne, Charmaine Energetic propane-1,3-diaminium and butane-1,4-diaminium salts of N,N'-dinitroethylenediazanide: syntheses, crystal structures and thermal properties Acta Crystallographica Section C 75(1) (2019) 54-60
Space group: P 1 21/n 1
Cell volume: 551.1
Cell parameters: 5.408; 7.203; 14.288; 90; 98.03; 90;

COD ID: 2021417

Formula: - C40 H28 Eu N9 O19 -
Comments: Xiang, 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 N-oxydic pyridyl naphthalenediimide ligand: synthesis and characterization Acta Crystallographica Section C 75(1) (2019) 38-45
Space group: P -1
Cell volume: 2024.57
Cell parameters: 9.8247; 15.2829; 15.9914; 109.498; 103.761; 106.11;

COD ID: 2021418

Formula: - C40 H28 Gd N9 O19 -
Comments: Xiang, 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 N-oxydic pyridyl naphthalenediimide ligand: synthesis and characterization Acta Crystallographica Section C 75(1) (2019) 38-45
Space group: P -1
Cell volume: 2036.8
Cell parameters: 9.8335; 15.3314; 16.0227; 109.641; 103.642; 106.064;

COD ID: 2021419

Formula: - C40 H28 Dy N9 O19 -
Comments: Xiang, 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 N-oxydic pyridyl naphthalenediimide ligand: synthesis and characterization Acta Crystallographica Section C 75(1) (2019) 38-45
Space group: P -1
Cell volume: 2016.2
Cell parameters: 9.8244; 15.2522; 15.9247; 109.461; 103.6; 106.05;

COD ID: 2021420

Formula: - C40 H28 Er N9 O19 -
Comments: Xiang, 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 N-oxydic pyridyl naphthalenediimide ligand: synthesis and characterization Acta Crystallographica Section C 75(1) (2019) 38-45
Space group: P -1
Cell volume: 2011.59
Cell parameters: 9.8242; 15.2333; 15.8956; 109.532; 103.449; 106.019;

COD ID: 2021421

Formula: - C19 H20 Cl N4 O4.5 -
Comments: Faroque, 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 75(1) (2019) 46-53
Space group: C 1 2/c 1
Cell volume: 7799.3
Cell parameters: 14.9367; 15.791; 33.5896; 90; 100.123; 90;

COD ID: 2021422

COD ID: 2021423

COD ID: 2021427

Formula: - C30 H36 N2 O3 S2 -
Comments: Cole, 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-1H-indol-2-yl)(salicyl)methanes Acta Crystallographica Section C 75(1) (2019) 65-69
Space group: P 43 21 2
Cell volume: 5653.2
Cell parameters: 9.0917; 9.0917; 68.392; 90; 90; 90;

COD ID: 2021428

Formula: - C29 H32 Cl2 N2 O3 S2 -
Comments: Cole, 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-1H-indol-2-yl)(salicyl)methanes Acta Crystallographica Section C 75(1) (2019) 65-69
Space group: P -1
Cell volume: 1458.1
Cell parameters: 8.9836; 10.9082; 15.782; 72.406; 83.232; 83.086;

COD ID: 2021429

Formula: - C14 H12 O2 Se -
Comments: Venkateshwaran, 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 75(1) (2019)
Space group: P 1 21/c 1
Cell volume: 1167.41
Cell parameters: 8.8185; 17.4773; 7.9793; 90; 108.328; 90;

COD ID: 2021430

Formula: - C14 H12 O Se2 -
Comments: Venkateshwaran, 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 75(1) (2019)
Space group: P 1 21/c 1
Cell volume: 1234.39
Cell parameters: 7.1083; 13.8408; 12.5601; 90; 92.663; 90;

COD ID: 2021431

Formula: - C15 H25 N O3 -
Comments: Rossi, 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 75(2) (2019)
Space group: P 1 21/n 1
Cell volume: 1529.18
Cell parameters: 16.0344; 5.4375; 17.8512; 90; 100.731; 90;

COD ID: 2021432

Formula: - C26 H24 N4 -
Comments: Tan, 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 75(2) (2019)
Space group: P 1 21/c 1
Cell volume: 2202.08
Cell parameters: 8.128; 8.2147; 32.9809; 90; 90.252; 90;

COD ID: 2021435
CIF file Original IUCr paper	Formula: - C38 H48 Cl2 N4 O4 S2 - Comments: Borodi, Gheorghe; Turza, Alexandru; Onija, Oana; Bende, Attila Succinic, fumaric, adipic and oxalic acid cocrystals of promethazine hydrochloride Acta Crystallographica Section C 75(2) (2019) 107-119 Space group: P 1 21/c 1 Cell volume: 1984.78 Cell parameters: 8.8247; 26.4201; 8.7393; 90; 103.07; 90;

COD ID: 2021436

Formula: - C38 H46 Cl2 N4 O4 S2 -
Comments: Borodi, Gheorghe; Turza, Alexandru; Onija, Oana; Bende, Attila Succinic, fumaric, adipic and oxalic acid cocrystals of promethazine hydrochloride Acta Crystallographica Section C 75(2) (2019) 107-119
Space group: P 1 21/c 1
Cell volume: 1903.27
Cell parameters: 8.7741; 25.8762; 8.6007; 90; 102.92; 90;

COD ID: 2021437

Formula: - C40 H52 Cl2 N4 O4 S2 -
Comments: Borodi, Gheorghe; Turza, Alexandru; Onija, Oana; Bende, Attila Succinic, fumaric, adipic and oxalic acid cocrystals of promethazine hydrochloride Acta Crystallographica Section C 75(2) (2019) 107-119
Space group: P 1 21/c 1
Cell volume: 2115.32
Cell parameters: 8.8988; 27.7992; 8.7933; 90; 103.484; 90;

COD ID: 2021438

Formula: - C36 H44 Cl2 N4 O4 S2 -
Comments: Borodi, Gheorghe; Turza, Alexandru; Onija, Oana; Bende, Attila Succinic, fumaric, adipic and oxalic acid cocrystals of promethazine hydrochloride Acta Crystallographica Section C 75(2) (2019) 107-119
Space group: P 1 21/n 1
Cell volume: 1845.08
Cell parameters: 10.5507; 12.4382; 14.2966; 90; 100.445; 90;

COD ID: 2021439

Formula: - C19 H22 N2 O4 S -
Comments: Borodi, Gheorghe; Turza, Alexandru; Onija, Oana; Bende, Attila Succinic, fumaric, adipic and oxalic acid cocrystals of promethazine hydrochloride Acta Crystallographica Section C 75(2) (2019) 107-119
Space group: P -1
Cell volume: 1821.53
Cell parameters: 8.684; 11.3871; 20.0923; 104.106; 90.386; 108.34;

COD ID: 2021440

Formula: - C7 H12 As N O5 -
Comments: Harchani, Ali; Trzybiński, Damian; Pawledzio, Sylwia; Woźniak, Krzysztof; Haddad, Amor Crystallographic and computational studies of a new organoarsenate compound: o-anisidinium dihydroarsenate Acta Crystallographica Section C 75(2) (2019)
Space group: P -1
Cell volume: 498.12
Cell parameters: 5.5235; 9.4385; 10.4633; 70.769; 75.984; 89.624;

COD ID: 2021441

Formula: - C5 H7 Cd Cl2 N3 O3 -
Comments: Bouchene, Rafika; Bouacida, Sofiane Syntheses, supramolecular networks and Hirshfeld surface and thermal analyses of two new cadmium chloride coordination polymers with an N,O-chelating ligand Acta Crystallographica Section C 75(2) (2019)
Space group: P -1
Cell volume: 489.093
Cell parameters: 6.9452; 7.8334; 9.9918; 98.677; 97.359; 111.725;

COD ID: 2021442

Formula: - C10 H12 Cd Cl2 N6 O5 -
Comments: Bouchene, Rafika; Bouacida, Sofiane Syntheses, supramolecular networks and Hirshfeld surface and thermal analyses of two new cadmium chloride coordination polymers with an N,O-chelating ligand Acta Crystallographica Section C 75(2) (2019)
Space group: P c a b
Cell volume: 3126.24
Cell parameters: 7.2637; 17.7011; 24.3144; 90; 90; 90;

COD ID: 2021443

Formula: - C2 H10 Co6 O15 -
Comments: Prateek 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 75(1) (2019) 61-64
Space group: P -6 2 m
Cell volume: 288.2
Cell parameters: 10.3236; 10.3236; 3.12244; 90; 90; 120;

COD ID: 2021444

Formula: - C27 H21 Cd N5 O9 -
Comments: Qin, 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 75(2) (2019)
Space group: P 1 21/c 1
Cell volume: 3574
Cell parameters: 12.829; 15.854; 20.769; 90; 122.215; 90;

COD ID: 2021445

Formula: - C38 H24 Cd2 N6 O14 -
Comments: Qin, 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 75(2) (2019)
Space group: P -1
Cell volume: 2677
Cell parameters: 8.342; 13.903; 23.568; 86.84; 89.264; 78.826;

COD ID: 2021446

Formula: - C32 H36 N6 Ni O12 -
Comments: Qin, 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 75(2) (2019)
Space group: P -1
Cell volume: 1807
Cell parameters: 11.866; 12.259; 14.248; 98.341; 93.604; 117.018;

COD ID: 2021447

Formula: - C26 H18 N2 O10 Zn2 -
Comments: Su, 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 75(2) (2019)
Space group: P -1
Cell volume: 569.67
Cell parameters: 7.7926; 8.2969; 9.7964; 73.953; 76.973; 71.184;

COD ID: 2021448

Formula: - C28 H26 Cl2 N2 O4 Zn -
Comments: Hajiashrafi, 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 75(2) (2019) 178-188
Space group: P -1
Cell volume: 1289.8
Cell parameters: 9.1926; 10.6101; 14.8057; 94.188; 97.716; 114.409;

COD ID: 2021449

Formula: - C28 H26 I2 N2 O4 Zn -
Comments: Hajiashrafi, 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 75(2) (2019) 178-188
Space group: P -1
Cell volume: 1356.7
Cell parameters: 9.2709; 10.02; 16.248; 98.56; 100.5; 110.09;

COD ID: 2021450

Formula: - C28 H26 Br2 Cd N2 O4 -
Comments: Hajiashrafi, 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 75(2) (2019) 178-188
Space group: P -1
Cell volume: 1348.92
Cell parameters: 9.2772; 10.0935; 16.1021; 97.699; 100.586; 111.149;

COD ID: 2021451

Formula: - C28 H26 Cd I2 N2 O4 -
Comments: Hajiashrafi, 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 75(2) (2019) 178-188
Space group: P -1
Cell volume: 1403.58
Cell parameters: 9.32; 10.0498; 16.6239; 99.14; 100.528; 109.332;

COD ID: 2021452

Formula: - C28 H26 Cl2 Hg N2 O4 -
Comments: Hajiashrafi, 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 75(2) (2019) 178-188
Space group: P -1
Cell volume: 1326.25
Cell parameters: 9.2456; 10.151; 15.8499; 96.5447; 99.7441; 112.674;

COD ID: 2021453

Formula: - C28 H26 Hg I2 N2 O4 -
Comments: Hajiashrafi, 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 75(2) (2019) 178-188
Space group: P -1
Cell volume: 1400.4
Cell parameters: 9.2783; 10.006; 16.695; 98.777; 100.296; 109.396;

COD ID: 2021454

Formula: - C14 H15 Cl2 N O4 -
Comments: Guerrero, Sergio A.; Ramírez, Juan E.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher A concise and versatile route to tetrahydro-1-benzazepines carrying [a]-fused heterocyclic units: synthetic sequence and spectroscopic characterization, and the molecular and supramolecular structures of one intermediate and two products Acta Crystallographica Section C 75(2) (2019)
Space group: P -1
Cell volume: 732
Cell parameters: 8.858; 9.328; 10.526; 96.039; 112.651; 108.99;

COD ID: 2021455

Formula: - C15 H17 Cl N2 O4 -
Comments: Guerrero, Sergio A.; Ramírez, Juan E.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher A concise and versatile route to tetrahydro-1-benzazepines carrying [a]-fused heterocyclic units: synthetic sequence and spectroscopic characterization, and the molecular and supramolecular structures of one intermediate and two products Acta Crystallographica Section C 75(2) (2019)
Space group: P 1 2/c 1
Cell volume: 1427.9
Cell parameters: 9.198; 10.586; 15.223; 90; 105.56; 90;

COD ID: 2021456

Formula: - C12 H12 Cl N3 O2 -
Comments: Guerrero, Sergio A.; Ramírez, Juan E.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher A concise and versatile route to tetrahydro-1-benzazepines carrying [a]-fused heterocyclic units: synthetic sequence and spectroscopic characterization, and the molecular and supramolecular structures of one intermediate and two products Acta Crystallographica Section C 75(2) (2019)
Space group: P -1
Cell volume: 564.5
Cell parameters: 5.595; 8.377; 12.712; 98.1; 100.1; 101.76;

COD ID: 2021457

Formula: - C22 H17 N5 O6 Zn -
Comments: Chen, 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-1H-imidazol-1-yl)benzene and 5-nitrobenzene-1,3-dicarboxylic acid: synthesis, crystal structure and physical properties Acta Crystallographica Section C 75(2) (2019) 196-199
Space group: P 1 21/c 1
Cell volume: 2222.3
Cell parameters: 12.568; 13.324; 14.207; 90; 110.912; 90;

COD ID: 2021458

Formula: - C17 H21 N3 O3 -
Comments: Madeley, Lee G.; Levendis, Demetrius C.; Lemmerer, Andreas Covalent-assisted supramolecular synthesis: the effect of hydrogen bonding in cocrystals of 4-tert-butylbenzoic acid with isoniazid and its derivatized forms Acta Crystallographica Section C 75(2) (2019)
Space group: P -1
Cell volume: 829.94
Cell parameters: 6.6076; 7.6668; 16.5297; 94.565; 93.48; 94.758;

COD ID: 2021459

Formula: - C20 H25 N3 O3 -
Comments: Madeley, Lee G.; Levendis, Demetrius C.; Lemmerer, Andreas Covalent-assisted supramolecular synthesis: the effect of hydrogen bonding in cocrystals of 4-tert-butylbenzoic acid with isoniazid and its derivatized forms Acta Crystallographica Section C 75(2) (2019)
Space group: P 1 21/c 1
Cell volume: 3914.3
Cell parameters: 14.2337; 13.7116; 20.3233; 90; 99.298; 90;

COD ID: 2021460

Formula: - C21 H27 N3 O3 -
Comments: Madeley, Lee G.; Levendis, Demetrius C.; Lemmerer, Andreas Covalent-assisted supramolecular synthesis: the effect of hydrogen bonding in cocrystals of 4-tert-butylbenzoic acid with isoniazid and its derivatized forms Acta Crystallographica Section C 75(2) (2019)
Space group: P 1 21/c 1
Cell volume: 4086.5
Cell parameters: 14.7663; 13.7022; 20.4647; 90; 99.279; 90;

COD ID: 2021461

Formula: - C30 H29 N3 O3 -
Comments: Madeley, Lee G.; Levendis, Demetrius C.; Lemmerer, Andreas Covalent-assisted supramolecular synthesis: the effect of hydrogen bonding in cocrystals of 4-tert-butylbenzoic acid with isoniazid and its derivatized forms Acta Crystallographica Section C 75(2) (2019)
Space group: P 1 21 1
Cell volume: 1253.01
Cell parameters: 7.6967; 10.1984; 15.9931; 90; 93.505; 90;

COD ID: 2021462

Formula: - C23 H31 N3 O4 -
Comments: Madeley, Lee G.; Levendis, Demetrius C.; Lemmerer, Andreas Covalent-assisted supramolecular synthesis: the effect of hydrogen bonding in cocrystals of 4-tert-butylbenzoic acid with isoniazid and its derivatized forms Acta Crystallographica Section C 75(2) (2019)
Space group: P 1 21/c 1
Cell volume: 2329.61
Cell parameters: 20.3803; 6.9598; 17.2533; 90; 107.838; 90;

COD ID: 2021463

Formula: - C26 H25 N O -
Comments: Capozzi, 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 75(2) (2019)
Space group: P 21 21 21
Cell volume: 2074.16
Cell parameters: 9.6571; 13.0874; 16.4113; 90; 90; 90;

COD ID: 2021464

Formula: - C26 H25 N O2 -
Comments: Capozzi, 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 75(2) (2019)
Space group: P 21 21 21
Cell volume: 2054
Cell parameters: 11.74; 11.933; 14.662; 90; 90; 90;

COD ID: 2021465

Formula: - K2 O12 P3 Ta0.5 Tb1.5 -
Comments: Xue, 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 75(2) (2019) 213-220
Space group: P 21 3
Cell volume: 1101.09
Cell parameters: 10.3262; 10.3262; 10.3262; 90; 90; 90;

COD ID: 2021466

Formula: - C4 H9 N O4 -
Comments: Kats, Eynav; Bernstein, Joel; Lemmerer, Andreas A new polymorph of ammonium succinate ‒ serendipity in action Acta Crystallographica Section C 75(2) (2019) 208-212
Space group: P 1 21/n 1
Cell volume: 1237.5
Cell parameters: 9.3716; 11.7529; 11.2357; 90; 90.187; 90;

COD ID: 2021467

Formula: - C32 H43 Gd2 N3 O17 -
Comments: Hao, 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 75(2) (2019) 221-230
Space group: P 1 21/n 1
Cell volume: 1871.1
Cell parameters: 9.3992; 17.6714; 11.2971; 90; 94.318; 90;

COD ID: 2021468

Formula: - C32 H43 Dy2 N3 O17 -
Comments: Hao, 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 75(2) (2019) 221-230
Space group: P 1 21/n 1
Cell volume: 1869.1
Cell parameters: 9.3529; 17.6217; 11.3758; 90; 94.494; 90;

COD ID: 2021469

Formula: - C28 H34 N2 Nd2 O16 -
Comments: Hao, 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 75(2) (2019) 221-230
Space group: P 1 21/n 1
Cell volume: 1942.7
Cell parameters: 9.5383; 17.966; 11.3703; 90; 94.402; 90;

COD ID: 2021470

Formula: - C28 H34 N2 O16 Sm2 -
Comments: Hao, 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 75(2) (2019) 221-230
Space group: P 1 21/n 1
Cell volume: 1905.6
Cell parameters: 9.4469; 17.8037; 11.3621; 90; 94.319; 90;

COD ID: 2021471
CIF file HKL data	Formula: - C20 H20 N O3 P - Comments: Sabbaghi, 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 75(1) (2019) 77-84 Space group: P 1 21 1 Cell volume: 906.72 Cell parameters: 11.3449; 7.3527; 11.8641; 90; 113.623; 90;

COD ID: 2021472
CIF file HKL data	Formula: - C20 H20 N O3 P - Comments: Sabbaghi, 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 75(1) (2019) 77-84 Space group: P 1 21 1 Cell volume: 907.87 Cell parameters: 11.3482; 7.3589; 11.8714; 90; 113.686; 90;

COD ID: 2021473

Formula: - C25 H28 Cl2 N O3 Ta -
Comments: Trávníček, 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 75(3) (2019)
Space group: P -1
Cell volume: 1185.6
Cell parameters: 8.33; 11.557; 12.426; 84.484; 86.07; 86.04;

COD ID: 2021474

Formula: - C4 H6 N4 O4 -
Comments: Jaćimović, 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 75(3) (2019)
Space group: P 21 21 21
Cell volume: 700.17
Cell parameters: 6.6562; 8.3692; 12.5687; 90; 90; 90;

COD ID: 2021475

Formula: - C14 H20 Cu2 N8 O12 -
Comments: Jaćimović, 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 75(3) (2019)
Space group: P -1
Cell volume: 562.25
Cell parameters: 5.0863; 8.811; 12.7192; 83.977; 88.281; 82.743;

COD ID: 2021476

Formula: - C8 H18 Co2 N6 O16 -
Comments: Jaćimović, 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 75(3) (2019)
Space group: P 1 21/c 1
Cell volume: 920.86
Cell parameters: 8.9689; 6.4035; 16.4509; 90; 102.93; 90;

COD ID: 2021477

Formula: - C22 H23 O4 P -
Comments: Rádai, 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 75(3) (2019)
Space group: P b c a
Cell volume: 3854.9
Cell parameters: 16.7332; 8.2012; 28.0902; 90; 90; 90;

COD ID: 2021478

Formula: - C21 H20 Cl O4 P -
Comments: Rádai, 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 75(3) (2019)
Space group: P 1 21 1
Cell volume: 960.49
Cell parameters: 10.4239; 7.8757; 12.0461; 90; 103.775; 90;

COD ID: 2021479

Formula: - C21 H20 N O6 P -
Comments: Rádai, 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 75(3) (2019)
Space group: P -1
Cell volume: 1975.23
Cell parameters: 10.0795; 13.853; 15.9354; 111.11; 90.852; 106.326;

COD ID: 2021480

Formula: - C10 H14 N O6 P -
Comments: Rádai, 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 75(3) (2019)
Space group: P -1
Cell volume: 630.26
Cell parameters: 8.18; 8.4006; 9.9661; 102.173; 94.897; 107.504;

COD ID: 2021481

Formula: - C10 H15 O4 P -
Comments: Rádai, 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 75(3) (2019)
Space group: P 1 21/c 1
Cell volume: 1140.05
Cell parameters: 8.478; 17.237; 8.1357; 90; 106.484; 90;

COD ID: 2021482

Formula: - C11 H17 O6 P -
Comments: Rádai, 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 75(3) (2019)
Space group: C 1 2/c 1
Cell volume: 2643.1
Cell parameters: 39.464; 8.5132; 8.0044; 90; 100.62; 90;

COD ID: 2021483
CIF file Original IUCr paper	Formula: - C9 H13 O4 P - Comments: Rádai, 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 75(3) (2019) Space group: P 1 21/n 1 Cell volume: 1060.69 Cell parameters: 8.4039; 7.7007; 16.6012; 90; 99.149; 90;

COD ID: 2021484

Formula: - C18 H17 F3 N2 O2 -
Comments: Clarkson, 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 75(3) (2019)
Space group: P 1 21/c 1
Cell volume: 1690.68
Cell parameters: 15.0494; 14.2369; 7.9898; 90; 99.025; 90;

COD ID: 2021485

Formula: - C52 H38 Cl7 Mn N8 -
Comments: Lahanas, 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 75(3) (2019)
Space group: P -1
Cell volume: 2465.63
Cell parameters: 11.3475; 14.2479; 16.4138; 92.51; 99.529; 108.699;

COD ID: 2021486

Formula: - C54 H50 Cl Mn N6 -
Comments: Lahanas, 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 75(3) (2019)
Space group: P -1
Cell volume: 1413.24
Cell parameters: 10.5211; 11.9123; 12.6355; 66.1342; 78.3107; 89.5778;

COD ID: 2021487

Formula: - C59 H43 Cl Mn N7 -
Comments: Lahanas, 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 75(3) (2019)
Space group: P -1
Cell volume: 2321.76
Cell parameters: 11.0499; 12.1051; 18.5362; 90.177; 90.324; 110.537;

COD ID: 2021488

Formula: - C63 H60 Cl Mn N8 O0.25 -
Comments: Lahanas, 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 75(3) (2019)
Space group: P -1
Cell volume: 2595.35
Cell parameters: 11.4402; 13.4019; 18.6407; 95.774; 92.199; 113.63;

COD ID: 2021489

Formula: - C7 H13 N O8 -
Comments: Losev, Evgeniy A.; Boldyreva, Elena Concomitant cocrystal and salt: no interconversion in the solid state Acta Crystallographica Section C 75(3) (2019)
Space group: P -1
Cell volume: 482.19
Cell parameters: 4.9272; 8.6072; 12.1525; 108.617; 97.37; 92.763;

COD ID: 2021490

Formula: - C7 H13 N O8 -
Comments: Losev, Evgeniy A.; Boldyreva, Elena Concomitant cocrystal and salt: no interconversion in the solid state Acta Crystallographica Section C 75(3) (2019)
Space group: P -1
Cell volume: 478.19
Cell parameters: 4.9195; 8.5997; 12.0667; 108.576; 97.152; 92.576;

COD ID: 2021491

Formula: - C7 H13 N O8 -
Comments: Losev, Evgeniy A.; Boldyreva, Elena Concomitant cocrystal and salt: no interconversion in the solid state Acta Crystallographica Section C 75(3) (2019)
Space group: P -1
Cell volume: 474.39
Cell parameters: 4.9101; 8.5883; 11.9978; 108.535; 96.969; 92.427;

COD ID: 2021492

Formula: - C7 H13 N O8 -
Comments: Losev, Evgeniy A.; Boldyreva, Elena Concomitant cocrystal and salt: no interconversion in the solid state Acta Crystallographica Section C 75(3) (2019)
Space group: P -1
Cell volume: 471.4
Cell parameters: 4.9001; 8.5768; 11.9523; 108.503; 96.781; 92.316;

COD ID: 2021493

Formula: - C7 H13 N O8 -
Comments: Losev, Evgeniy A.; Boldyreva, Elena Concomitant cocrystal and salt: no interconversion in the solid state Acta Crystallographica Section C 75(3) (2019)
Space group: P -1
Cell volume: 469.54
Cell parameters: 4.8948; 8.5707; 11.9179; 108.459; 96.649; 92.235;

COD ID: 2021494

Formula: - C7 H13 N O8 -
Comments: Losev, Evgeniy A.; Boldyreva, Elena Concomitant cocrystal and salt: no interconversion in the solid state Acta Crystallographica Section C 75(3) (2019)
Space group: P -1
Cell volume: 471.13
Cell parameters: 4.901; 8.5623; 11.9502; 108.338; 96.669; 92.426;

COD ID: 2021495

Formula: - C7 H13 N O8 -
Comments: Losev, Evgeniy A.; Boldyreva, Elena Concomitant cocrystal and salt: no interconversion in the solid state Acta Crystallographica Section C 75(3) (2019)
Space group: P -1
Cell volume: 473.67
Cell parameters: 4.9089; 8.5742; 11.9896; 108.411; 96.813; 92.501;

COD ID: 2021496

Formula: - C7 H13 N O8 -
Comments: Losev, Evgeniy A.; Boldyreva, Elena Concomitant cocrystal and salt: no interconversion in the solid state Acta Crystallographica Section C 75(3) (2019)
Space group: P -1
Cell volume: 476.02
Cell parameters: 4.9142; 8.5934; 12.0281; 108.563; 97.059; 92.493;

COD ID: 2021497

Formula: - C7 H13 N O8 -
Comments: Losev, Evgeniy A.; Boldyreva, Elena Concomitant cocrystal and salt: no interconversion in the solid state Acta Crystallographica Section C 75(3) (2019)
Space group: P -1
Cell volume: 480.17
Cell parameters: 4.9248; 8.6012; 12.1074; 108.584; 97.257; 92.666;

COD ID: 2021498

Formula: - C7 H13 N O8 -
Comments: Losev, Evgeniy A.; Boldyreva, Elena Concomitant cocrystal and salt: no interconversion in the solid state Acta Crystallographica Section C 75(3) (2019)
Space group: P -1
Cell volume: 481.7
Cell parameters: 4.9271; 8.6022; 12.1449; 108.606; 97.351; 92.714;

COD ID: 2021499

Formula: - C7 H13 N O8 -
Comments: Losev, Evgeniy A.; Boldyreva, Elena Concomitant cocrystal and salt: no interconversion in the solid state Acta Crystallographica Section C 75(3) (2019)
Space group: P 1 21/c 1
Cell volume: 977.92
Cell parameters: 4.8902; 9.443; 21.7426; 90; 103.096; 90;

COD ID: 2021500

Formula: - C7 H13 N O8 -
Comments: Losev, Evgeniy A.; Boldyreva, Elena Concomitant cocrystal and salt: no interconversion in the solid state Acta Crystallographica Section C 75(3) (2019)
Space group: P 1 21/c 1
Cell volume: 972.71
Cell parameters: 4.8745; 9.4321; 21.7086; 90; 102.948; 90;

COD ID: 2021501

Formula: - C7 H13 N O8 -
Comments: Losev, Evgeniy A.; Boldyreva, Elena Concomitant cocrystal and salt: no interconversion in the solid state Acta Crystallographica Section C 75(3) (2019)
Space group: P 1 21/c 1
Cell volume: 967.94
Cell parameters: 4.8594; 9.4225; 21.7038; 90; 103.092; 90;

COD ID: 2021502

Formula: - C7 H13 N O8 -
Comments: Losev, Evgeniy A.; Boldyreva, Elena Concomitant cocrystal and salt: no interconversion in the solid state Acta Crystallographica Section C 75(3) (2019)
Space group: P 1 21/c 1
Cell volume: 961.93
Cell parameters: 4.8426; 9.4084; 21.6903; 90; 103.248; 90;

COD ID: 2021503

Formula: - C7 H13 N O8 -
Comments: Losev, Evgeniy A.; Boldyreva, Elena Concomitant cocrystal and salt: no interconversion in the solid state Acta Crystallographica Section C 75(3) (2019)
Space group: P 1 21/c 1
Cell volume: 959.55
Cell parameters: 4.8333; 9.4082; 21.6923; 90; 103.401; 90;

COD ID: 2021504

Formula: - C7 H13 N O8 -
Comments: Losev, Evgeniy A.; Boldyreva, Elena Concomitant cocrystal and salt: no interconversion in the solid state Acta Crystallographica Section C 75(3) (2019)
Space group: P 1 21/c 1
Cell volume: 968.05
Cell parameters: 4.8491; 9.4313; 21.7481; 90; 103.272; 90;

COD ID: 2021505

Formula: - C7 H13 N O8 -
Comments: Losev, Evgeniy A.; Boldyreva, Elena Concomitant cocrystal and salt: no interconversion in the solid state Acta Crystallographica Section C 75(3) (2019)
Space group: P 1 21/c 1
Cell volume: 965.92
Cell parameters: 4.8531; 9.4182; 21.7022; 90; 103.155; 90;

COD ID: 2021506

Formula: - C7 H13 N O8 -
Comments: Losev, Evgeniy A.; Boldyreva, Elena Concomitant cocrystal and salt: no interconversion in the solid state Acta Crystallographica Section C 75(3) (2019)
Space group: P 1 21/c 1
Cell volume: 978.33
Cell parameters: 4.8784; 9.4546; 21.7693; 90; 103.002; 90;

COD ID: 2021507

Formula: - C7 H13 N O8 -
Comments: Losev, Evgeniy A.; Boldyreva, Elena Concomitant cocrystal and salt: no interconversion in the solid state Acta Crystallographica Section C 75(3) (2019)
Space group: P 1 21/c 1
Cell volume: 975.44
Cell parameters: 4.8828; 9.4372; 21.7258; 90; 103.007; 90;

COD ID: 2021508

Formula: - C7 H13 N O8 -
Comments: Losev, Evgeniy A.; Boldyreva, Elena Concomitant cocrystal and salt: no interconversion in the solid state Acta Crystallographica Section C 75(3) (2019)
Space group: P 1 21/c 1
Cell volume: 977.17
Cell parameters: 4.8873; 9.4416; 21.7392; 90; 103.063; 90;

COD ID: 2021509

Formula: - C20 H15 Cl2 Li N2 O3 -
Comments: Shah, Syed Raza; Shah, Zarbad; Ullah, Najeeb; Hussain, Javid; Al-Harrasi, Rashid; Khan, Ajmal; Rawson, Jeremy M.; Al-Harrasi, Ahmed; Anwar, Muhammad U. Crystal structure, shape analysis and bioactivity of new Li^I^, Na^I^ and Mg^II^ complexes with 1,10-phenanthroline and 2-(3,4-dichlorophenyl)acetic acid Acta Crystallographica Section C 75(3) (2019)
Space group: P -1
Cell volume: 941.4
Cell parameters: 7.056; 10.226; 13.451; 87.21; 86.978; 76.42;

COD ID: 2021510

Formula: - C40 H30 Cl4 N4 Na2 O6 -
Comments: Shah, Syed Raza; Shah, Zarbad; Ullah, Najeeb; Hussain, Javid; Al-Harrasi, Rashid; Khan, Ajmal; Rawson, Jeremy M.; Al-Harrasi, Ahmed; Anwar, Muhammad U. Crystal structure, shape analysis and bioactivity of new Li^I^, Na^I^ and Mg^II^ complexes with 1,10-phenanthroline and 2-(3,4-dichlorophenyl)acetic acid Acta Crystallographica Section C 75(3) (2019)
Space group: P -1
Cell volume: 957.1
Cell parameters: 6.9518; 10.8369; 13.5077; 82.823; 83.7; 71.92;

COD ID: 2021511

Formula: - C28 H24 Cl4 Mg N2 O7 -
Comments: Shah, Syed Raza; Shah, Zarbad; Ullah, Najeeb; Hussain, Javid; Al-Harrasi, Rashid; Khan, Ajmal; Rawson, Jeremy M.; Al-Harrasi, Ahmed; Anwar, Muhammad U. Crystal structure, shape analysis and bioactivity of new Li^I^, Na^I^ and Mg^II^ complexes with 1,10-phenanthroline and 2-(3,4-dichlorophenyl)acetic acid Acta Crystallographica Section C 75(3) (2019)
Space group: P 21 21 21
Cell volume: 2922.5
Cell parameters: 8.3889; 11.9459; 29.163; 90; 90; 90;

COD ID: 2021512

Formula: - C18 H18 N4 O4 -
Comments: Powers, Kyle A.; Geiger, David K. Hydrogen bonding in two benzene-1,2-diaminium pyridine-2-carboxylate salts and a cocrystal of benzene-1,2-diamine and benzoic acid Acta Crystallographica Section C 75(3) (2019)
Space group: C 1 2/c 1
Cell volume: 1724.8
Cell parameters: 21.467; 7.675; 12.837; 90; 125.362; 90;

COD ID: 2021513

Formula: - C20 H22 N4 O4 -
Comments: Powers, Kyle A.; Geiger, David K. Hydrogen bonding in two benzene-1,2-diaminium pyridine-2-carboxylate salts and a cocrystal of benzene-1,2-diamine and benzoic acid Acta Crystallographica Section C 75(3) (2019)
Space group: C 1 2/c 1
Cell volume: 2029.5
Cell parameters: 21.451; 9.01; 12.585; 90; 123.447; 90;

COD ID: 2021514

Formula: - C20 H20 N2 O4 -
Comments: Powers, Kyle A.; Geiger, David K. Hydrogen bonding in two benzene-1,2-diaminium pyridine-2-carboxylate salts and a cocrystal of benzene-1,2-diamine and benzoic acid Acta Crystallographica Section C 75(3) (2019)
Space group: P b c n
Cell volume: 1840
Cell parameters: 20.061; 7.8464; 11.6895; 90; 90; 90;

COD ID: 2021515

Formula: - C12 H12 N6 O3 -
Comments: Oliveira, Ana P. A.; Ferreira, Isabella P.; Despaigne, Angel A. Recio; da Silva, Jeferson G.; Vieira, Ana Carolina S.; Santos, Mariana S.; Alexandre-Moreira, Magna S.; Diniz, Renata; Beraldo, Heloisa Structural studies and antileishmanial activity of 2-acetylpyridine and 2-benzoylpyridine nitroimidazole-derived hydrazones Acta Crystallographica Section C 75(3) (2019)
Space group: P 1 21/c 1
Cell volume: 1294.65
Cell parameters: 5.9284; 13.6918; 16.0601; 90; 96.721; 90;

COD ID: 2021516

Formula: - C12 H12 N6 O3 -
Comments: Oliveira, Ana P. A.; Ferreira, Isabella P.; Despaigne, Angel A. Recio; da Silva, Jeferson G.; Vieira, Ana Carolina S.; Santos, Mariana S.; Alexandre-Moreira, Magna S.; Diniz, Renata; Beraldo, Heloisa Structural studies and antileishmanial activity of 2-acetylpyridine and 2-benzoylpyridine nitroimidazole-derived hydrazones Acta Crystallographica Section C 75(3) (2019)
Space group: I 1 2/a 1
Cell volume: 2726.4
Cell parameters: 12.189; 18.7185; 12.4701; 90; 106.612; 90;

COD ID: 2021517

Formula: - C17 H14 N6 O3 -
Comments: Oliveira, Ana P. A.; Ferreira, Isabella P.; Despaigne, Angel A. Recio; da Silva, Jeferson G.; Vieira, Ana Carolina S.; Santos, Mariana S.; Alexandre-Moreira, Magna S.; Diniz, Renata; Beraldo, Heloisa Structural studies and antileishmanial activity of 2-acetylpyridine and 2-benzoylpyridine nitroimidazole-derived hydrazones Acta Crystallographica Section C 75(3) (2019)
Space group: P 1 21/c 1
Cell volume: 1664.88
Cell parameters: 13.1965; 14.0718; 8.9747; 90; 92.596; 90;

COD ID: 2021518

Formula: - C17 H14 N6 O3 -
Comments: Oliveira, Ana P. A.; Ferreira, Isabella P.; Despaigne, Angel A. Recio; da Silva, Jeferson G.; Vieira, Ana Carolina S.; Santos, Mariana S.; Alexandre-Moreira, Magna S.; Diniz, Renata; Beraldo, Heloisa Structural studies and antileishmanial activity of 2-acetylpyridine and 2-benzoylpyridine nitroimidazole-derived hydrazones Acta Crystallographica Section C 75(3) (2019)
Space group: P -1
Cell volume: 801.04
Cell parameters: 5.8656; 10.3304; 13.7224; 74.736; 88.725; 87.006;

COD ID: 2021519

Formula: - C21 H24 Cl2 O3 -
Comments: Asgarova, Aytan R.; Khalilov, Ali N.; Brito, Ivan; Maharramov, Abel M.; Shikhaliyev, Namiq G.; Cisterna, Jonathan; Cárdenas, Alejandro; Gurbanov, Atash V.; Zubkov, Fedor I.; Mahmudov, Kamran T. Hydrogen and halogen bonding in the haloetherification products in chalcone Acta Crystallographica Section C 75(3) (2019)
Space group: P 1 21/n 1
Cell volume: 2065.3
Cell parameters: 9.446; 19.783; 11.0766; 90; 93.821; 90;

COD ID: 2021520

Formula: - C20 H22 Br2 O3 -
Comments: Asgarova, Aytan R.; Khalilov, Ali N.; Brito, Ivan; Maharramov, Abel M.; Shikhaliyev, Namiq G.; Cisterna, Jonathan; Cárdenas, Alejandro; Gurbanov, Atash V.; Zubkov, Fedor I.; Mahmudov, Kamran T. Hydrogen and halogen bonding in the haloetherification products in chalcone Acta Crystallographica Section C 75(3) (2019)
Space group: P 1 21/n 1
Cell volume: 2070.11
Cell parameters: 9.6343; 19.5472; 10.9965; 90; 91.584; 90;

COD ID: 2021521

Formula: - C21 H24 Br2 O3 -
Comments: Asgarova, Aytan R.; Khalilov, Ali N.; Brito, Ivan; Maharramov, Abel M.; Shikhaliyev, Namiq G.; Cisterna, Jonathan; Cárdenas, Alejandro; Gurbanov, Atash V.; Zubkov, Fedor I.; Mahmudov, Kamran T. Hydrogen and halogen bonding in the haloetherification products in chalcone Acta Crystallographica Section C 75(3) (2019)
Space group: P 1 21/n 1
Cell volume: 2123.3
Cell parameters: 9.6342; 19.8082; 11.1545; 90; 94.076; 90;

COD ID: 2021522

Formula: - C22 H28 N2 O4 Se2 -
Comments: Raju, Saravanan; Butcher, Ray J.; Singh, Harkesh B. Isolation and structure of an 18-membered macrocycle containing two diselenide linkages and its precursor Acta Crystallographica Section C 75(3) (2019)
Space group: C 1 2/c 1
Cell volume: 4839.7
Cell parameters: 18.178; 9.3386; 28.9009; 90; 99.44; 90;

COD ID: 2021523

Formula: - C36 H34 N4 O6 Se4 -
Comments: Raju, Saravanan; Butcher, Ray J.; Singh, Harkesh B. Isolation and structure of an 18-membered macrocycle containing two diselenide linkages and its precursor Acta Crystallographica Section C 75(3) (2019)
Space group: P -1
Cell volume: 910.42
Cell parameters: 9.4865; 9.741; 11.2789; 101; 108.394; 105.264;

COD ID: 2021524

Formula: - C5 H16 Br4 N P Pb -
Comments: Cheng, Ling; Cao, Yingjie A two-dimensional organic‒inorganic hybrid perovskite-type semiconductor: poly[(2-azaniumylethyl)trimethylphosphanium [tetra-μ-bromido-plumbate(II)]] Acta Crystallographica Section C 75(3) (2019)
Space group: P 1 21 1
Cell volume: 722.1
Cell parameters: 6.0127; 12.056; 9.962; 90; 90.43; 90;

COD ID: 2021525

Formula: - C10 H9 F N4 O S -
Comments: Moreno-Fuquen, Rodolfo; Arango-Daraviña, Kevin; Becerra, Diana; Castillo, Juan-Carlos; Kennedy, Alan R.; Macías, Mario A. Catalyst- and solvent-free synthesis of 2-fluoro-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzamide through a microwave-assisted Fries rearrangement: X-ray structural and theoretical studies Acta Crystallographica Section C 75(3) (2019)
Space group: P -1
Cell volume: 557.83
Cell parameters: 7.6599; 7.8079; 10.014; 94.487; 108.668; 97.565;

COD ID: 2021526

Formula: - C10 H9 F N4 O S -
Comments: Moreno-Fuquen, Rodolfo; Arango-Daraviña, Kevin; Becerra, Diana; Castillo, Juan-Carlos; Kennedy, Alan R.; Macías, Mario A. Catalyst- and solvent-free synthesis of 2-fluoro-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzamide through a microwave-assisted Fries rearrangement: X-ray structural and theoretical studies Acta Crystallographica Section C 75(3) (2019)
Space group: P 1 21/n 1
Cell volume: 1077
Cell parameters: 5.0509; 26.64; 8.0251; 90; 94.12; 90;

COD ID: 2021527

Formula: - C18 H12 Cd N8 O6 -
Comments: Liu, Jian-Jun; Li, Li-Zhi; Chen, Chun-Ping; Wei, Jin-Zhong; Cheng, Fei-Xiang A fourfold interpenetrating cadmium(II) metal‒organic framework based on 2,4,6-tris(pyridin-4-yl)-1,3,5-triazine with reversible photochromic properties Acta Crystallographica Section C 75(3) (2019) 372-377
Space group: P b c n
Cell volume: 4353
Cell parameters: 27.1721; 9.7995; 16.3477; 90; 90; 90;

COD ID: 2021528

Formula: - C142 H162 O22 P4 Rh2 -
Comments: Selent, Detlef; Spannenberg, Anke; Kubis, Christoph; Börner, Armin A dinuclear phosphite rhodium(I) complex obtained by syngas treatment of a Rh/hydroxy phosphonite olefin hydroformylation precatalyst Acta Crystallographica Section C 75(4) (2019) 398-401
Space group: P 1 21/n 1
Cell volume: 6419.7
Cell parameters: 13.41; 15.5455; 31.157; 90; 98.743; 90;

COD ID: 2021529

Formula: - C18 H26 Br N2 O5 Re -
Comments: Schutte-Smith, Marietjie; Roodt, Andreas; Alberto, Roger; Twigge, Linette; Visser, Hendrik Gideon; Kirsten, Leo; Koen, Renier Structures of rhenium(I) complexes with 3-hydroxyflavone and benzhydroxamic acid as O,O'-bidentate ligands and confirmation of π-stacking by solid-state NMR spectroscopy Acta Crystallographica Section C 75(4) (2019) 378-387
Space group: P -1
Cell volume: 1030.2
Cell parameters: 9.6321; 9.8793; 12.826; 95.806; 108.52; 112.895;

COD ID: 2021530

Formula: - C33 H21 O10 Re -
Comments: Schutte-Smith, Marietjie; Roodt, Andreas; Alberto, Roger; Twigge, Linette; Visser, Hendrik Gideon; Kirsten, Leo; Koen, Renier Structures of rhenium(I) complexes with 3-hydroxyflavone and benzhydroxamic acid as O,O'-bidentate ligands and confirmation of π-stacking by solid-state NMR spectroscopy Acta Crystallographica Section C 75(4) (2019) 378-387
Space group: P -1
Cell volume: 1361
Cell parameters: 10.5209; 11.9365; 12.4455; 108.277; 102.745; 104.252;

COD ID: 2021531

Formula: - C15 H10 O3 -
Comments: Schutte-Smith, Marietjie; Roodt, Andreas; Alberto, Roger; Twigge, Linette; Visser, Hendrik Gideon; Kirsten, Leo; Koen, Renier Structures of rhenium(I) complexes with 3-hydroxyflavone and benzhydroxamic acid as O,O'-bidentate ligands and confirmation of π-stacking by solid-state NMR spectroscopy Acta Crystallographica Section C 75(4) (2019) 378-387
Space group: P 21 21 21
Cell volume: 1097.2
Cell parameters: 5.3502; 11.3531; 18.063; 90; 90; 90;

COD ID: 2021532

Formula: - C26 H49 Cl N2 O2 -
Comments: Dolgushin, Fedor M.; Goloveshkin, Alexander S.; Ananyev, Ivan V.; Osintseva, Svetlana V.; Torubaev, Yury V.; Krylov, Sergey S.; Golub, Alexandre S. Interplay of noncovalent interactions in antiseptic quaternary ammonium surfactant Miramistin Acta Crystallographica Section C 75(4) (2019) 402-411
Space group: P b c a
Cell volume: 5388.4
Cell parameters: 8.898; 13.0356; 46.455; 90; 90; 90;

COD ID: 2021533

Formula: - C58 H48 Cl8 Cu2 N4 O10 -
Comments: Hamamci Alisir, Sevim; Dege, Necmi; Tapramaz, Recep Synthesis, crystal structures and characterizations of three new copper(II) complexes including anti-inflammatory diclofenac Acta Crystallographica Section C 75(4) (2019) 388-397
Space group: P -1
Cell volume: 1485.26
Cell parameters: 10.5258; 11.9908; 13.0098; 113.097; 90.217; 99.529;

COD ID: 2021534

Formula: - C38 H32 Cl4 Cu N6 O4 -
Comments: Hamamci Alisir, Sevim; Dege, Necmi; Tapramaz, Recep Synthesis, crystal structures and characterizations of three new copper(II) complexes including anti-inflammatory diclofenac Acta Crystallographica Section C 75(4) (2019) 388-397
Space group: P 1 21/c 1
Cell volume: 1940.95
Cell parameters: 15.1741; 7.9241; 16.3037; 90; 98.073; 90;

COD ID: 2021535

Formula: - C34 H28 Cl4 Cu N6 O4 -
Comments: Hamamci Alisir, Sevim; Dege, Necmi; Tapramaz, Recep Synthesis, crystal structures and characterizations of three new copper(II) complexes including anti-inflammatory diclofenac Acta Crystallographica Section C 75(4) (2019) 388-397
Space group: P 1 21/c 1
Cell volume: 1784.29
Cell parameters: 7.6526; 7.5494; 31.071; 90; 96.277; 90;

COD ID: 2021538

Formula: - C12 H13 N5 O4 -
Comments: Sedghiniya, Sima; Soleimannejad, Janet; Janczak, Jan The salt‒cocrystal spectrum in salicylic acid‒adenine: the influence of crystal structure on proton-transfer balance Acta Crystallographica Section C 75(4) (2019) 412-421
Space group: P -1
Cell volume: 1292.42
Cell parameters: 7.2329; 12.4405; 14.7468; 82.507; 79.385; 86.828;

COD ID: 2021539

Formula: - C29 H31 N15 O8 -
Comments: Sedghiniya, Sima; Soleimannejad, Janet; Janczak, Jan The salt‒cocrystal spectrum in salicylic acid‒adenine: the influence of crystal structure on proton-transfer balance Acta Crystallographica Section C 75(4) (2019) 412-421
Space group: P 1 21/n 1
Cell volume: 3214.4
Cell parameters: 22.335; 4.8497; 31.567; 90; 109.936; 90;

COD ID: 2021540

Formula: - C30 H20 Dy N3 O7 -
Comments: Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands Acta Crystallographica Section C 75(4) (2019) 422-432
Space group: P -1
Cell volume: 1302.7
Cell parameters: 10.7276; 11.6173; 12.524; 103.051; 110.504; 106.834;

COD ID: 2021541

Formula: - C30 H20 Ho N3 O7 -
Comments: Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands Acta Crystallographica Section C 75(4) (2019) 422-432
Space group: P -1
Cell volume: 1301.5
Cell parameters: 10.7235; 11.6222; 12.515; 102.97; 110.498; 106.944;

COD ID: 2021542

Formula: - C30 H20 Er N3 O7 -
Comments: Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands Acta Crystallographica Section C 75(4) (2019) 422-432
Space group: P -1
Cell volume: 1298.2
Cell parameters: 10.7193; 11.6076; 12.511; 102.958; 110.528; 106.984;

COD ID: 2021543

Formula: - C60 H36 Gd2 N6 O12 -
Comments: Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands Acta Crystallographica Section C 75(4) (2019) 422-432
Space group: P 1 21/n 1
Cell volume: 2501.6
Cell parameters: 10.6397; 21.2984; 11.1255; 90; 97.14; 90;

COD ID: 2021544

Formula: - C60 H36 Ho2 N6 O12 -
Comments: Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands Acta Crystallographica Section C 75(4) (2019) 422-432
Space group: P 1 21/n 1
Cell volume: 2466.9
Cell parameters: 10.5699; 21.2378; 11.0639; 90; 96.664; 90;

COD ID: 2021545

Formula: - C60 H36 Er2 N6 O12 -
Comments: Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands Acta Crystallographica Section C 75(4) (2019) 422-432
Space group: P 1 21/n 1
Cell volume: 2469.1
Cell parameters: 10.5716; 21.2401; 11.0692; 90; 96.583; 90;

COD ID: 2021546

Formula: - C30 H18 Dy N3 O6 -
Comments: Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands Acta Crystallographica Section C 75(4) (2019) 422-432
Space group: C 1 2/c 1
Cell volume: 5088.3
Cell parameters: 24.95; 10.1942; 20.145; 90; 96.748; 90;

COD ID: 2021547

Formula: - C30 H18 Ho N3 O6 -
Comments: Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands Acta Crystallographica Section C 75(4) (2019) 422-432
Space group: C 1 2/c 1
Cell volume: 5085.7
Cell parameters: 24.914; 10.208; 20.132; 90; 96.64; 90;

COD ID: 2021548

Formula: - C30 H18 Er N3 O6 -
Comments: Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands Acta Crystallographica Section C 75(4) (2019) 422-432
Space group: C 1 2/c 1
Cell volume: 5072.8
Cell parameters: 24.8569; 10.2084; 20.1195; 90; 96.467; 90;

COD ID: 2021549

Formula: - C30 H18 N3 O6 Yb -
Comments: Bai, Chao; Liu, Bin; Hu, Huai-Ming; Li, Jin-Dian; Wang, Xiaofang; Xue, Ganglin Structural investigation of one- and three-dimensional lanthanide(III) coordination polymers based on functionalized terpyridine carboxylate and aromatic dicarboxylate ligands Acta Crystallographica Section C 75(4) (2019) 422-432
Space group: C 1 2/c 1
Cell volume: 5050
Cell parameters: 24.689; 10.2783; 20.0241; 90; 96.362; 90;

COD ID: 2021550

Formula: - C62 H66 Co2 N10 O12 -
Comments: Vráblová, Anna; Černák, Juraj; Falvello, Larry R.; Tomás, Milagros Polymorphism of the dinuclear Co^III^‒Schiff base complex [Co~2~(o-van-en)~3~]·4CH~3~CN (o-van-en is a salen-type ligand) Acta Crystallographica Section C 75(4) (2019) 433-442
Space group: P 1 21/c 1
Cell volume: 2906.24
Cell parameters: 12.4355; 21.6501; 11.9462; 90; 115.364; 90;

COD ID: 2021551

Formula: - C62 H66 Co2 N10 O12 -
Comments: Vráblová, Anna; Černák, Juraj; Falvello, Larry R.; Tomás, Milagros Polymorphism of the dinuclear Co^III^‒Schiff base complex [Co~2~(o-van-en)~3~]·4CH~3~CN (o-van-en is a salen-type ligand) Acta Crystallographica Section C 75(4) (2019) 433-442
Space group: P -1
Cell volume: 1460.26
Cell parameters: 10.4971; 11.6195; 13.7158; 70.471; 71.667; 72.466;

COD ID: 2021552

Formula: - C28 H38 Cu N12 O10 S4 -
Comments: Zhu, Guiying; Lu, Yang; Jin, Guoxia; Ji, Xuan; Ma, Jianping The effect of the coordination orientation of N atoms on polymeric structures: synthesis and characterization of one- and two-dimensional Cu^II^ coordination polymers based on 4-amino-3-(pyridin-2-yl)-5-[(pyridin-3-ylmethyl)sulfanyl]-1,2,4-triazole Acta Crystallographica Section C 75(4) (2019) 443-450
Space group: P 1 21/c 1
Cell volume: 1907.58
Cell parameters: 9.1819; 18.0782; 11.7932; 90; 102.977; 90;

COD ID: 2021553

Formula: - C26 H26 Cl2 Cu N12 O9 S2 -
Comments: Zhu, Guiying; Lu, Yang; Jin, Guoxia; Ji, Xuan; Ma, Jianping The effect of the coordination orientation of N atoms on polymeric structures: synthesis and characterization of one- and two-dimensional Cu^II^ coordination polymers based on 4-amino-3-(pyridin-2-yl)-5-[(pyridin-3-ylmethyl)sulfanyl]-1,2,4-triazole Acta Crystallographica Section C 75(4) (2019) 443-450
Space group: P 1 21/n 1
Cell volume: 3371.79
Cell parameters: 9.6589; 23.1463; 15.5643; 90; 104.305; 90;

COD ID: 2021554

Formula: - C28 H32 Cu N14 O8 S2 -
Comments: Zhu, Guiying; Lu, Yang; Jin, Guoxia; Ji, Xuan; Ma, Jianping The effect of the coordination orientation of N atoms on polymeric structures: synthesis and characterization of one- and two-dimensional Cu^II^ coordination polymers based on 4-amino-3-(pyridin-2-yl)-5-[(pyridin-3-ylmethyl)sulfanyl]-1,2,4-triazole Acta Crystallographica Section C 75(4) (2019) 443-450
Space group: P -1
Cell volume: 1774.51
Cell parameters: 9.5651; 12.6688; 15.2716; 85.727; 80.36; 76.734;

COD ID: 2021555

Formula: - C18 H14 F2 N O3 P -
Comments: Hasija, Avantika; Chopra, Deepak Exploring concomitant/conformational dimorphism in a difluoro-substituted phosphoramidate derivative Acta Crystallographica Section C 75(4) (2019) 451-461
Space group: P 1 21/c 1
Cell volume: 1676.72
Cell parameters: 10.2037; 9.1372; 17.9981; 90; 92.26; 90;

COD ID: 2021556

Formula: - C18 H14 F2 N O3 P -
Comments: Hasija, Avantika; Chopra, Deepak Exploring concomitant/conformational dimorphism in a difluoro-substituted phosphoramidate derivative Acta Crystallographica Section C 75(4) (2019) 451-461
Space group: P c a 21
Cell volume: 3399.46
Cell parameters: 35.0582; 7.2554; 13.3647; 90; 90; 90;

COD ID: 2021557

Formula: - C64 H58 Au Cl N4 O4 -
Comments: Selvakumar, Jayaraman; Miles, Meredith H.; Grossie, David A.; Arumugam, Kuppuswamy Synthesis and molecular structure of biologically significant bis(1,3-dimesityl-4,5-naphthoquinoimidazol-2-ylidene)gold(I) complexes with chloride and dichloridoaurate counter-ions Acta Crystallographica Section C 75(4) (2019) 462-468
Space group: C 1 2/c 1
Cell volume: 11682
Cell parameters: 24.368; 14.7921; 33.349; 90; 103.63; 90;

COD ID: 2021558

Formula: - C60 H56 Au2 Cl6 N4 O4 -
Comments: Selvakumar, Jayaraman; Miles, Meredith H.; Grossie, David A.; Arumugam, Kuppuswamy Synthesis and molecular structure of biologically significant bis(1,3-dimesityl-4,5-naphthoquinoimidazol-2-ylidene)gold(I) complexes with chloride and dichloridoaurate counter-ions Acta Crystallographica Section C 75(4) (2019) 462-468
Space group: P -1
Cell volume: 2999.8
Cell parameters: 11.9236; 15.1244; 18.4014; 100.46; 105.164; 103.994;

COD ID: 2021559

Formula: - C8 H40 Co2 Mo8 N2 O48 -
Comments: Tahmasebi, Morteza; Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Mague, Joel T.; Bauzá, Antonio; Frontera, Antonio An inorganic‒organic hybrid supramolecular framework based on the γ-[Mo~8~O~26~]^4{-^} cluster and cobalt complex of aspartic acid: X-ray structure and DFT study Acta Crystallographica Section C 75(4) (2019) 469-477
Space group: P 1 21/c 1
Cell volume: 2186.7
Cell parameters: 11.507; 12.853; 15.795; 90; 110.602; 90;

COD ID: 2021561

Formula: - Al Na O8 P2 Zn -
Comments: Yakubovich, Olga; Kiriukhina, Galina; Volkov, Anatoliy; Dimitrova, Olga The rich crystal chemistry of the AMM'(PO~4~)~2~ morphotropic series: NaZnAl(PO~4~)~2~, the first Na representative with a new structure type Acta Crystallographica Section C 75(5) (2019) 514-522
Space group: P 1 21/c 1
Cell volume: 688.14
Cell parameters: 9.5199; 8.67; 9.5471; 90; 119.158; 90;

COD ID: 2021562

Formula: - C23 H24 Cu N6 O7 -
Comments: Bhat, Satish Shantaram; Shivalingegowda, Naveen; Revankar, Vidyanand Krishna; Kawade, Vitthal Ajinath; Butcher, Ray J.; Lokanath, Neratur Krishnappagowda One-dimensional copper(II) coordination polymers based on 1,3-bis(pyridin-4-yl)propane and diimine ligands Acta Crystallographica Section C 75(5) (2019) 496-503
Space group: P 1 21/n 1
Cell volume: 4755.5
Cell parameters: 15.7821; 16.2877; 19.1051; 90; 104.457; 90;

COD ID: 2021563

Formula: - C25 H24 Cu N6 O7 -
Comments: Bhat, Satish Shantaram; Shivalingegowda, Naveen; Revankar, Vidyanand Krishna; Kawade, Vitthal Ajinath; Butcher, Ray J.; Lokanath, Neratur Krishnappagowda One-dimensional copper(II) coordination polymers based on 1,3-bis(pyridin-4-yl)propane and diimine ligands Acta Crystallographica Section C 75(5) (2019) 496-503
Space group: P 1 21/n 1
Cell volume: 4893.8
Cell parameters: 16.0181; 15.8775; 20.0316; 90; 106.14; 90;

COD ID: 2021564

Formula: - C26 H23.52 N4 O7.76 Zn -
Comments: Chen, Hui-Ru A fourfold interpenetrating diamond-like three-dimensional zinc(II) coordination polymer: synthesis, crystal structure and physical properties Acta Crystallographica Section C 75(5) (2019) 504-507
Space group: P 1 21/c 1
Cell volume: 2677
Cell parameters: 11.622; 12.346; 18.669; 90; 92.13; 90;

COD ID: 2021565

Formula: - C80 H75 F36 N25 P6 Pd3 -
Comments: Daran, Jean-Claude; Gimeno, Nicolas; Gouygou, Maryse; Volkman, Jérôme A triangular palladium(II) supramolecular coordination complex based on 1,4-bis(1H-imidazol-1-yl)benzene and (2,2'-bipyridyl)palladium(II) nitrate: synthesis and crystal structure Acta Crystallographica Section C 75(5) (2019)
Space group: P -1
Cell volume: 5469.7
Cell parameters: 17.8173; 18.0361; 18.0674; 105.211; 93.579; 100.586;

COD ID: 2021566

Formula: - C20 H19 N3 O6 -
Comments: Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro The design of novel metronidazole benzoate structures: exploring stoichiometric diversity Acta Crystallographica Section C 75(5) (2019)
Space group: P 1 21/n 1
Cell volume: 1932.42
Cell parameters: 13.5997; 9.0354; 16.5974; 90; 108.646; 90;

COD ID: 2021567

Formula: - C23 H21 N3 O5 -
Comments: Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro The design of novel metronidazole benzoate structures: exploring stoichiometric diversity Acta Crystallographica Section C 75(5) (2019)
Space group: P 1 21/c 1
Cell volume: 2125.5
Cell parameters: 8.5105; 22.387; 11.7752; 90; 108.664; 90;

COD ID: 2021568

Formula: - C21 H21 N3 O7 -
Comments: Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro The design of novel metronidazole benzoate structures: exploring stoichiometric diversity Acta Crystallographica Section C 75(5) (2019)
Space group: P -1
Cell volume: 1002.73
Cell parameters: 9.1309; 11.1274; 11.8538; 107.365; 103.27; 110.091;

COD ID: 2021569

Formula: - C20 H17 N5 O10 -
Comments: Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro The design of novel metronidazole benzoate structures: exploring stoichiometric diversity Acta Crystallographica Section C 75(5) (2019)
Space group: P 1 21/c 1
Cell volume: 2111.6
Cell parameters: 21.0988; 8.4322; 12.0341; 90; 99.505; 90;

COD ID: 2021570

Formula: - C20 H20 N4 O6 -
Comments: Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro The design of novel metronidazole benzoate structures: exploring stoichiometric diversity Acta Crystallographica Section C 75(5) (2019)
Space group: P -1
Cell volume: 1092.21
Cell parameters: 7.9316; 11.9585; 12.1978; 76.362; 78.927; 79.583;

COD ID: 2021571

Formula: - C20 H19 N3 O7 -
Comments: Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro The design of novel metronidazole benzoate structures: exploring stoichiometric diversity Acta Crystallographica Section C 75(5) (2019)
Space group: P 1 21/c 1
Cell volume: 1986.2
Cell parameters: 9.5055; 31.2239; 6.8578; 90; 102.628; 90;

COD ID: 2021572

Formula: - C17 H17 N3 O8 -
Comments: Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro The design of novel metronidazole benzoate structures: exploring stoichiometric diversity Acta Crystallographica Section C 75(5) (2019)
Space group: C 1 2/c 1
Cell volume: 3593.8
Cell parameters: 43.13; 5.7944; 15.2645; 90; 109.6; 90;

COD ID: 2021573

Formula: - C21 H19 N3 O8 -
Comments: Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro The design of novel metronidazole benzoate structures: exploring stoichiometric diversity Acta Crystallographica Section C 75(5) (2019)
Space group: P 1 21/c 1
Cell volume: 2074.13
Cell parameters: 8.83; 33.7182; 7.3199; 90; 107.878; 90;

COD ID: 2021574

Formula: - C32 H32 N6 O10 -
Comments: Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro The design of novel metronidazole benzoate structures: exploring stoichiometric diversity Acta Crystallographica Section C 75(5) (2019)
Space group: P b c a
Cell volume: 6379.87
Cell parameters: 26.3241; 7.1612; 33.8433; 90; 90; 90;

COD ID: 2021575

Formula: - C30 H30 N6 O12 -
Comments: Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro The design of novel metronidazole benzoate structures: exploring stoichiometric diversity Acta Crystallographica Section C 75(5) (2019)
Space group: P 1 21/c 1
Cell volume: 1617.38
Cell parameters: 9.0358; 26.6419; 6.8796; 90; 102.419; 90;

COD ID: 2021576

Formula: - C29 H28 N6 O12 -
Comments: Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro The design of novel metronidazole benzoate structures: exploring stoichiometric diversity Acta Crystallographica Section C 75(5) (2019)
Space group: P b c n
Cell volume: 3170.36
Cell parameters: 26.1542; 7.2708; 16.6719; 90; 90; 90;

COD ID: 2021577

Formula: - C20 H19 N3 O8 -
Comments: Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro The design of novel metronidazole benzoate structures: exploring stoichiometric diversity Acta Crystallographica Section C 75(5) (2019)
Space group: P 1 21/n 1
Cell volume: 1978.04
Cell parameters: 8.2443; 15.9009; 15.4526; 90; 102.454; 90;

COD ID: 2021578

Formula: - C46 H45 N9 O16 -
Comments: Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro The design of novel metronidazole benzoate structures: exploring stoichiometric diversity Acta Crystallographica Section C 75(5) (2019)
Space group: P 1 21/n 1
Cell volume: 4670.1
Cell parameters: 7.1481; 36.7892; 18.0584; 90; 100.451; 90;

COD ID: 2021579

Formula: - C44 H28 Cd N6 O4 -
Comments: Xu, Bin; Luo, Fuming; Tang, Guodong; Zhang, Jinfang A 4'-(4-carboxyphenyl)-3,2':6',3''-terpyridine-based luminescent cadmium(II) coordination polymer for the detection of 2,4,6-trinitrophenol Acta Crystallographica Section C 75(5) (2019)
Space group: P -1
Cell volume: 827.84
Cell parameters: 5.01; 9.593; 17.3488; 91.192; 96.049; 92.858;

COD ID: 2021580

Formula: - C52 H52 Cl2 O8 Os2 P2 -
Comments: Wilson, Kylie M.; Swartout, John W.; Touchton, Henry A.; Lambert, Erica N.; Johnstone, James E.; Archambeau, Ashley K.; Marolf, David M.; Mikeska, Emily R.; Lynch, Vincent M.; Nesterov, Vladimir N.; Reinheimer, Eric W.; Powell, Gregory L.; Powell, Cynthia B. Asymmetric diosmium sawhorse complexes Acta Crystallographica Section C 75(5) (2019) 529-537
Space group: P 1 21/c 1
Cell volume: 5076.33
Cell parameters: 18.5007; 18.5396; 14.809; 90; 91.9976; 90;

COD ID: 2021581

Formula: - C10 H6 O10 Os2 -
Comments: Wilson, Kylie M.; Swartout, John W.; Touchton, Henry A.; Lambert, Erica N.; Johnstone, James E.; Archambeau, Ashley K.; Marolf, David M.; Mikeska, Emily R.; Lynch, Vincent M.; Nesterov, Vladimir N.; Reinheimer, Eric W.; Powell, Gregory L.; Powell, Cynthia B. Asymmetric diosmium sawhorse complexes Acta Crystallographica Section C 75(5) (2019) 529-537
Space group: P 1 21/n 1
Cell volume: 1478.29
Cell parameters: 7.6949; 14.3612; 13.8623; 90; 105.202; 90;

COD ID: 2021582

Formula: - C30 H27 O9 Os2 P -
Comments: Wilson, Kylie M.; Swartout, John W.; Touchton, Henry A.; Lambert, Erica N.; Johnstone, James E.; Archambeau, Ashley K.; Marolf, David M.; Mikeska, Emily R.; Lynch, Vincent M.; Nesterov, Vladimir N.; Reinheimer, Eric W.; Powell, Gregory L.; Powell, Cynthia B. Asymmetric diosmium sawhorse complexes Acta Crystallographica Section C 75(5) (2019) 529-537
Space group: P -1
Cell volume: 1518.8
Cell parameters: 10.452; 11.229; 13.045; 82.813; 89.157; 89.457;

COD ID: 2021583

Formula: - C62 H63 O8 Os2 P2 -
Comments: Wilson, Kylie M.; Swartout, John W.; Touchton, Henry A.; Lambert, Erica N.; Johnstone, James E.; Archambeau, Ashley K.; Marolf, David M.; Mikeska, Emily R.; Lynch, Vincent M.; Nesterov, Vladimir N.; Reinheimer, Eric W.; Powell, Gregory L.; Powell, Cynthia B. Asymmetric diosmium sawhorse complexes Acta Crystallographica Section C 75(5) (2019) 529-537
Space group: P -1
Cell volume: 2761.39
Cell parameters: 12.81225; 14.8455; 16.6818; 98.1785; 101.79; 113.385;

COD ID: 2021584

Formula: - C12 H10 O10 Os2 -
Comments: Wilson, Kylie M.; Swartout, John W.; Touchton, Henry A.; Lambert, Erica N.; Johnstone, James E.; Archambeau, Ashley K.; Marolf, David M.; Mikeska, Emily R.; Lynch, Vincent M.; Nesterov, Vladimir N.; Reinheimer, Eric W.; Powell, Gregory L.; Powell, Cynthia B. Asymmetric diosmium sawhorse complexes Acta Crystallographica Section C 75(5) (2019) 529-537
Space group: P b c a
Cell volume: 3305.08
Cell parameters: 9.79942; 15.51827; 21.7339; 90; 90; 90;

COD ID: 2021585

Formula: - C32 H31 O9 Os2 P -
Comments: Wilson, Kylie M.; Swartout, John W.; Touchton, Henry A.; Lambert, Erica N.; Johnstone, James E.; Archambeau, Ashley K.; Marolf, David M.; Mikeska, Emily R.; Lynch, Vincent M.; Nesterov, Vladimir N.; Reinheimer, Eric W.; Powell, Gregory L.; Powell, Cynthia B. Asymmetric diosmium sawhorse complexes Acta Crystallographica Section C 75(5) (2019) 529-537
Space group: P -1
Cell volume: 1614.13
Cell parameters: 10.0952; 11.663; 13.7536; 88.6185; 86.7627; 86.9563;

COD ID: 2021586

Formula: - C53 H54 Cl2 O8 Os2 P2 -
Comments: Wilson, Kylie M.; Swartout, John W.; Touchton, Henry A.; Lambert, Erica N.; Johnstone, James E.; Archambeau, Ashley K.; Marolf, David M.; Mikeska, Emily R.; Lynch, Vincent M.; Nesterov, Vladimir N.; Reinheimer, Eric W.; Powell, Gregory L.; Powell, Cynthia B. Asymmetric diosmium sawhorse complexes Acta Crystallographica Section C 75(5) (2019) 529-537
Space group: P 1 21/c 1
Cell volume: 5168.8
Cell parameters: 18.4968; 18.7369; 14.9214; 90; 91.806; 90;

COD ID: 2021587

Formula: - C48 H44 O8 Os2 P2 -
Comments: Wilson, Kylie M.; Swartout, John W.; Touchton, Henry A.; Lambert, Erica N.; Johnstone, James E.; Archambeau, Ashley K.; Marolf, David M.; Mikeska, Emily R.; Lynch, Vincent M.; Nesterov, Vladimir N.; Reinheimer, Eric W.; Powell, Gregory L.; Powell, Cynthia B. Asymmetric diosmium sawhorse complexes Acta Crystallographica Section C 75(5) (2019) 529-537
Space group: P -1
Cell volume: 2264.27
Cell parameters: 10.7707; 10.8014; 20.379; 104.393; 91.009; 98.993;

COD ID: 2021588

Formula: - C27 H38 Cl N2 O5.5 -
Comments: Zhou, Xin-Bo; Zhu, Jian-Rong; Liu, Ji-Yong; Jin, Zhi-Ping; Tang, Fei-Yu; Hu, Xiu-Rong Crystal structures and properties of two hydrated conglomerate forms of the heart-rate-lowering agent ivabradine hydrochloride Acta Crystallographica Section C 75(5) (2019) 545-553
Space group: P 1 21 1
Cell volume: 2713.38
Cell parameters: 5.4874; 43.4767; 11.4892; 90; 98.144; 90;

COD ID: 2021589

Formula: - C27 H45 Cl N2 O9 -
Comments: Zhou, Xin-Bo; Zhu, Jian-Rong; Liu, Ji-Yong; Jin, Zhi-Ping; Tang, Fei-Yu; Hu, Xiu-Rong Crystal structures and properties of two hydrated conglomerate forms of the heart-rate-lowering agent ivabradine hydrochloride Acta Crystallographica Section C 75(5) (2019) 545-553
Space group: P 21 21 21
Cell volume: 6116.8
Cell parameters: 8.6747; 18.2437; 38.6507; 90; 90; 90;

COD ID: 2021590

Formula: - C20 H28 Cu N2 O5 -
Comments: Dimeska, Roza; Wikaira, Jan; Mockler, Garry M.; Butcher, Ray J. The crystal and molecular structures of three copper-containing complexes and their activities in mimicking galactose oxidase Acta Crystallographica Section C 75(5) (2019) 538-544
Space group: P 1 21/c 1
Cell volume: 2021.42
Cell parameters: 11.2427; 10.1287; 17.7683; 90; 92.501; 90;

COD ID: 2021591

Formula: - C21 H26 Cu N2 O3 -
Comments: Dimeska, Roza; Wikaira, Jan; Mockler, Garry M.; Butcher, Ray J. The crystal and molecular structures of three copper-containing complexes and their activities in mimicking galactose oxidase Acta Crystallographica Section C 75(5) (2019) 538-544
Space group: P c a 21
Cell volume: 1958.24
Cell parameters: 23.1862; 6.4178; 13.1598; 90; 90; 90;

COD ID: 2021592

Formula: - C32 H41 Cl Cu2 N4 O8 -
Comments: Dimeska, Roza; Wikaira, Jan; Mockler, Garry M.; Butcher, Ray J. The crystal and molecular structures of three copper-containing complexes and their activities in mimicking galactose oxidase Acta Crystallographica Section C 75(5) (2019) 538-544
Space group: P b c a
Cell volume: 6742.3
Cell parameters: 10.51085; 22.2419; 28.8403; 90; 90; 90;

COD ID: 2021593

Formula: - Bi2 Fe Gd6 -
Comments: Zhang, Jiliang; Kang, Yong-Mook; Shan, Guangcun; Bobev, Svilen Structural analysis of Gd~6~FeBi~2~ from single-crystal X-ray diffraction methods and electronic structure calculations Acta Crystallographica Section C 75(5) (2019)
Space group: P -6 2 m
Cell volume: 254.6
Cell parameters: 8.337; 8.337; 4.229; 90; 90; 120;

COD ID: 2021594

Formula: - C54 H42 Cd3 O24 -
Comments: Bai, Yuting; Han, Meirong; Wu, Enxi; Feng, Sisi; Zhu, Miaoli Cadmium(II) three-dimensional coordination polymers constructed from 1,3,5-tris(4-carboxyphenoxy)benzene: synthesis, crystal structure, fluorescence and I~2~ sorption characterization Acta Crystallographica Section C 75(5) (2019) 575-583
Space group: P -1
Cell volume: 1238.5
Cell parameters: 7.9134; 9.06; 18.63; 95.21; 100.79; 107.14;

COD ID: 2021595

Formula: - C40 H32 Cd2 N4 O14 -
Comments: Bai, Yuting; Han, Meirong; Wu, Enxi; Feng, Sisi; Zhu, Miaoli Cadmium(II) three-dimensional coordination polymers constructed from 1,3,5-tris(4-carboxyphenoxy)benzene: synthesis, crystal structure, fluorescence and I~2~ sorption characterization Acta Crystallographica Section C 75(5) (2019) 575-583
Space group: C 1 2/c 1
Cell volume: 7886
Cell parameters: 25.853; 18.594; 17.168; 90; 107.14; 90;

COD ID: 2021596

Formula: - C14 H21 N3 O3 S -
Comments: Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V. Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study Acta Crystallographica Section C 75(5) (2019) 598-608
Space group: P -1
Cell volume: 773.87
Cell parameters: 6.3506; 9.2241; 13.4984; 79.091; 87.215; 85.815;

COD ID: 2021597

Formula: - C14 H21 N3 O3 S -
Comments: Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V. Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study Acta Crystallographica Section C 75(5) (2019) 598-608
Space group: P -1
Cell volume: 770.32
Cell parameters: 6.3453; 9.1929; 13.4917; 79.103; 87.266; 85.857;

COD ID: 2021598

Formula: - C14 H21 N3 O3 S -
Comments: Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V. Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study Acta Crystallographica Section C 75(5) (2019) 598-608
Space group: P -1
Cell volume: 765.44
Cell parameters: 6.3346; 9.1641; 13.4642; 79.222; 87.305; 85.936;

COD ID: 2021599

Formula: - C14 H21 N3 O3 S -
Comments: Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V. Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study Acta Crystallographica Section C 75(5) (2019) 598-608
Space group: P -1
Cell volume: 760.33
Cell parameters: 6.3186; 9.1502; 13.4244; 79.314; 87.303; 85.948;

COD ID: 2021600

Formula: - C14 H21 N3 O3 S -
Comments: Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V. Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study Acta Crystallographica Section C 75(5) (2019) 598-608
Space group: P -1
Cell volume: 755.96
Cell parameters: 6.3064; 9.1298; 13.3984; 79.397; 87.344; 85.986;

COD ID: 2021601

Formula: - C14 H21 N3 O3 S -
Comments: Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V. Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study Acta Crystallographica Section C 75(5) (2019) 598-608
Space group: P -1
Cell volume: 749.41
Cell parameters: 6.2891; 9.096; 13.3659; 79.436; 87.381; 86.026;

COD ID: 2021602

Formula: - C14 H21 N3 O3 S -
Comments: Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V. Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study Acta Crystallographica Section C 75(5) (2019) 598-608
Space group: P -1
Cell volume: 745.14
Cell parameters: 6.2738; 9.0824; 13.3414; 79.449; 87.415; 86.013;

COD ID: 2021603

Formula: - C14 H21 N3 O3 S -
Comments: Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V. Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study Acta Crystallographica Section C 75(5) (2019) 598-608
Space group: P -1
Cell volume: 741.73
Cell parameters: 6.2586; 9.0748; 13.3249; 79.432; 87.442; 85.975;

COD ID: 2021604

Formula: - C14 H21 N3 O3 S -
Comments: Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V. Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study Acta Crystallographica Section C 75(5) (2019) 598-608
Space group: P -1
Cell volume: 738.8
Cell parameters: 6.2433; 9.0724; 13.3119; 79.359; 87.461; 85.933;

COD ID: 2021605

Formula: - C14 H21 N3 O3 S -
Comments: Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V. Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study Acta Crystallographica Section C 75(5) (2019) 598-608
Space group: P -1
Cell volume: 780.3
Cell parameters: 6.4948; 9.052; 13.4605; 82.467; 85.251; 85.836;

COD ID: 2021606

Formula: - C14 H21 N3 O3 S -
Comments: Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V. Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study Acta Crystallographica Section C 75(5) (2019) 598-608
Space group: P -1
Cell volume: 772.38
Cell parameters: 6.4468; 9.0141; 13.485; 82.36; 85.368; 85.553;

COD ID: 2021607

Formula: - C14 H21 N3 O3 S -
Comments: Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V. Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study Acta Crystallographica Section C 75(5) (2019) 598-608
Space group: P -1
Cell volume: 764.89
Cell parameters: 6.3939; 8.9809; 13.5213; 82.129; 85.602; 85.341;

COD ID: 2021608

Formula: - C14 H21 N3 O3 S -
Comments: Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V. Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study Acta Crystallographica Section C 75(5) (2019) 598-608
Space group: P -1
Cell volume: 756.38
Cell parameters: 6.3358; 8.9455; 13.5482; 81.976; 85.919; 85.273;

COD ID: 2021609

Formula: - C14 H21 N3 O3 S -
Comments: Fedorov, Alexey Yu.; Rychkov, Denis A.; Losev, Evgeniy A.; Drebushchak, Tatiana N.; Boldyreva, Elena V. Completing the picture of tolazamide polymorphism under extreme conditions: a low-temperature study Acta Crystallographica Section C 75(5) (2019) 598-608
Space group: P -1
Cell volume: 753
Cell parameters: 6.3091; 8.927; 13.576; 81.882; 86.073; 85.167;

COD ID: 2021610

Formula: - Cu Er S3 Sr -
Comments: Ruseikina, Anna V.; Solovyov, Leonid A.; Grigoriev, Maksim V.; Andreev, Oleg V. Crystal structure variations in the series SrLnCuS~3~ (Ln = La, Pr, Sm, Gd, Er and Lu) Acta Crystallographica Section C 75(5) (2019) 584-588
Space group: C m c m
Cell volume: 513.987
Cell parameters: 3.92672; 12.9632; 10.0974; 90; 90; 90;

COD ID: 2021611

Formula: - Cu Gd S3 Sr -
Comments: Ruseikina, Anna V.; Solovyov, Leonid A.; Grigoriev, Maksim V.; Andreev, Oleg V. Crystal structure variations in the series SrLnCuS~3~ (Ln = La, Pr, Sm, Gd, Er and Lu) Acta Crystallographica Section C 75(5) (2019) 584-588
Space group: P n m a
Cell volume: 529.622
Cell parameters: 10.3288; 3.96271; 12.9397; 90; 90; 90;

COD ID: 2021612

Formula: - Cu Lu S3 Sr -
Comments: Ruseikina, Anna V.; Solovyov, Leonid A.; Grigoriev, Maksim V.; Andreev, Oleg V. Crystal structure variations in the series SrLnCuS~3~ (Ln = La, Pr, Sm, Gd, Er and Lu) Acta Crystallographica Section C 75(5) (2019) 584-588
Space group: C m c m
Cell volume: 507.54
Cell parameters: 3.91105; 12.9504; 10.0206; 90; 90; 90;

COD ID: 2021613

Formula: - Cu S3 Sm Sr -
Comments: Ruseikina, Anna V.; Solovyov, Leonid A.; Grigoriev, Maksim V.; Andreev, Oleg V. Crystal structure variations in the series SrLnCuS~3~ (Ln = La, Pr, Sm, Gd, Er and Lu) Acta Crystallographica Section C 75(5) (2019) 584-588
Space group: P n m a
Cell volume: 537.632
Cell parameters: 10.4285; 3.9864; 12.9325; 90; 90; 90;

COD ID: 2021614

Formula: - C3 H6 Eu O11.34 -
Comments: Alexander, Dinu; Thomas, Kukku; Joy, Monu; Biju, P. R.; Unnikrishnan, N. V.; Joseph, Cyriac Structural and spectroscopic investigations on the quenching free luminescence of europium oxalate nanocrystals Acta Crystallographica Section C 75(5) (2019)
Space group: P 1 21/c 1
Cell volume: 982.84
Cell parameters: 11.0764; 9.6272; 10.1113; 90; 114.281; 90;

COD ID: 2021617

Formula: - C22 H44.62 Cl2 Cu0.69 N4 O8 -
Comments: Moncol, Jan; Mazúr, Milan; Valko, Marian; Choi, Jong-Ha Synthesis, structural characterization, EPR spectroscopy and Hirshfeld surface analysis of a novel Cu^2+^-doped 3,14-diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0^7,12^]docosane bis(perchlorate) Acta Crystallographica Section C 75(6) (2019)
Space group: P 1 21/n 1
Cell volume: 1358.8
Cell parameters: 9.2244; 11.554; 12.8659; 90; 97.722; 90;

COD ID: 2021618

Formula: - C15 H28 O13 -
Comments: Zhang, Wenhui; Wu, Qingquan; Oliver, Allen G.; Serianni, Anthony S. Conformational analysis of the disaccharide methyl α-D-mannopyranosyl-(1→3)-2-O-acetyl-β-D-mannopyranoside monohydrate Acta Crystallographica Section C Structural Chemistry 75(6) (2019)
Space group: P 65
Cell volume: 2817.7
Cell parameters: 7.8682; 7.8682; 52.555; 90; 90; 120;

COD ID: 2021619

Formula: - C23 H31 Cl2 N3 O3 S -
Comments: Bimoussa, Abdoullah; Koumya, Yassine; Abouelfida, Abdesselam; Ait Itto, Moulay Youssef; Benyaich, Abdelaziz; Mentre, Olivier; Ketatni, El Mostafa; Auhmani, Aziz; Auhmani, Abdelwahed Hemisynthesis, crystal structure and inhibitory effect of sesquiterpenic thiosemicarbazones and thiazolidin-4-ones on the corrosion behaviour of stainless steel in 1M H~2~SO~4~ solution Acta Crystallographica Section C 75(6) (2019)
Space group: P 21 21 21
Cell volume: 2526.8
Cell parameters: 10.2769; 12.2445; 20.0804; 90; 90; 90;

COD ID: 2021620

Formula: - C22 H20 F N O3 -
Comments: Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher A concise and efficient concurrent synthesis of 6,11-dihydrodibenzo[b,e]azepines and 5,6,11,12-tetrahydrodibenzo[b,f]azocines and their conversion to 4-oxo-8,13-dihydro-4H-benzo[5,6]azepino[3,2,1-ij]quinoline-5-carboxylates and N-acetyl-5,6,11,12-tetrahydrodibenzo[b,f]azocines: synthetic sequence, spectroscopic characterization and the structures of two products Acta Crystallographica Section C 75(6) (2019)
Space group: P 1 21/c 1
Cell volume: 1782.93
Cell parameters: 9.592; 13.4325; 14.2186; 90; 103.29; 90;

COD ID: 2021621

Formula: - C18 H18 Cl N O -
Comments: Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher A concise and efficient concurrent synthesis of 6,11-dihydrodibenzo[b,e]azepines and 5,6,11,12-tetrahydrodibenzo[b,f]azocines and their conversion to 4-oxo-8,13-dihydro-4H-benzo[5,6]azepino[3,2,1-ij]quinoline-5-carboxylates and N-acetyl-5,6,11,12-tetrahydrodibenzo[b,f]azocines: synthetic sequence, spectroscopic characterization and the structures of two products Acta Crystallographica Section C 75(6) (2019)
Space group: P 1 21/c 1
Cell volume: 1515.5
Cell parameters: 8.333; 20.8; 9.186; 90; 107.857; 90;

COD ID: 2021622

Formula: - C19 H17 Cd Cl N4 O5 -
Comments: Li, Xiao-Fei; Cheng, Di; Meng, Xiang-Ru; Yang, Huai-Xia Effects of two benzenedicarboxylic acids on the construction of Cd^II^ coordination polymers incorporating a flexible N-donor ligand Acta Crystallographica Section C 75(6) (2019)
Space group: P -1
Cell volume: 985.6
Cell parameters: 8.5888; 11.372; 11.66; 64.87; 73.1; 80.71;

COD ID: 2021623

Formula: - C19 H20 Cd N4 O7 -
Comments: Li, Xiao-Fei; Cheng, Di; Meng, Xiang-Ru; Yang, Huai-Xia Effects of two benzenedicarboxylic acids on the construction of Cd^II^ coordination polymers incorporating a flexible N-donor ligand Acta Crystallographica Section C 75(6) (2019)
Space group: P -1
Cell volume: 1019.1
Cell parameters: 8.9624; 10.256; 13.07; 96.13; 106.88; 113.57;

COD ID: 2021624

Formula: - C5 H14 Br2 N2 O -
Comments: Piontek, Mateusz; Morgenstern, Bernd; Steinbrück, Nils; Oberhausen, Bastian; Kickelbick, Guido; Hegetschweiler, Kaspar HBr or not HBr? That is the question: crystal structure of 6-hydroxy-1,4-diazepane-1,4-diium dibromide redetermined Acta Crystallographica Section C 75(6) (2019)
Space group: P 21 21 21
Cell volume: 906.25
Cell parameters: 7.7005; 9.2774; 12.6853; 90; 90; 90;

COD ID: 2021625

Formula: - C29.5 H27.5 N2.5 Ni O9.5 -
Comments: Mi, Xiuna; Sheng, Dafei; Wang, Suna; Lu, Jing; Yang, Lu; Zhou, Zhen Killing two birds with one stone: 2D+2D→3D parallel stacking and 3D self-penetrating structures in one reaction and their crystal-to-crystal transformation Acta Crystallographica Section C 75(6) (2019)
Space group: P -1
Cell volume: 1540.6
Cell parameters: 10.27; 11.9701; 12.5459; 90.821; 91.089; 92.278;

COD ID: 2021626

Formula: - C74 H80 N8 Ni2 O24 -
Comments: Mi, Xiuna; Sheng, Dafei; Wang, Suna; Lu, Jing; Yang, Lu; Zhou, Zhen Killing two birds with one stone: 2D+2D→3D parallel stacking and 3D self-penetrating structures in one reaction and their crystal-to-crystal transformation Acta Crystallographica Section C 75(6) (2019)
Space group: P 1 21/c 1
Cell volume: 3804.5
Cell parameters: 11.503; 16.4391; 20.5549; 90; 101.816; 90;

COD ID: 2021627

Formula: - C11 H7 N S2 -
Comments: Alvarenga, Meiry E.; Valdo, Ana Karoline S. M.; Ribeiro, Leandro; Do Nascimento Neto, José Antonio; De Araujo, Debora P.; Da Silva, Cleiton Moreira; De Fátima, Ângelo; Martins, Felipe T. Exploring the structural landscape of 2-(thiophen-2-yl)-1,3-benzothiazole: high-Z' packing polymorphism and cocrystallization with calix[4]tube Acta Crystallographica Section C 75(6) (2019)
Space group: P -1
Cell volume: 4016.5
Cell parameters: 13.1146; 14.8676; 22.4297; 87.244; 80.719; 68.535;

COD ID: 2021628

Formula: - C11 H7 N S2 -
Comments: Alvarenga, Meiry E.; Valdo, Ana Karoline S. M.; Ribeiro, Leandro; Do Nascimento Neto, José Antonio; De Araujo, Debora P.; Da Silva, Cleiton Moreira; De Fátima, Ângelo; Martins, Felipe T. Exploring the structural landscape of 2-(thiophen-2-yl)-1,3-benzothiazole: high-Z' packing polymorphism and cocrystallization with calix[4]tube Acta Crystallographica Section C 75(6) (2019)
Space group: P 1 21/n 1
Cell volume: 4049
Cell parameters: 13.0549; 15.6867; 20.0965; 90; 100.315; 90;

COD ID: 2021629

Formula: - C11 H7 N S2 -
Comments: Alvarenga, Meiry E.; Valdo, Ana Karoline S. M.; Ribeiro, Leandro; Do Nascimento Neto, José Antonio; De Araujo, Debora P.; Da Silva, Cleiton Moreira; De Fátima, Ângelo; Martins, Felipe T. Exploring the structural landscape of 2-(thiophen-2-yl)-1,3-benzothiazole: high-Z' packing polymorphism and cocrystallization with calix[4]tube Acta Crystallographica Section C 75(6) (2019)
Space group: P -1
Cell volume: 2024.6
Cell parameters: 12.5339; 13.5178; 14.4107; 117.741; 92.687; 106.548;

COD ID: 2021630

Formula: - C87 H84 N Na3 O28 S4 -
Comments: Alvarenga, Meiry E.; Valdo, Ana Karoline S. M.; Ribeiro, Leandro; Do Nascimento Neto, José Antonio; De Araujo, Debora P.; Da Silva, Cleiton Moreira; De Fátima, Ângelo; Martins, Felipe T. Exploring the structural landscape of 2-(thiophen-2-yl)-1,3-benzothiazole: high-Z' packing polymorphism and cocrystallization with calix[4]tube Acta Crystallographica Section C 75(6) (2019)
Space group: P 1 21/n 1
Cell volume: 8380.3
Cell parameters: 15.4853; 32.7646; 16.8635; 90; 101.633; 90;

COD ID: 2021631

Formula: - C21 H20 Cl N5 -
Comments: Acosta Quintero, Lina M.; Palma, Alirio; Choquesillo-Lazarte, Duane; Cobo, Justo; Glidewell, Christopher Monoclinic and orthorhombic forms of (RS)-(E)-4-[2-(4-chlorobenzylidene)hydrazinyl]-6,11-dimethyl-6,11-dihydro-5H-benzo[b]pyrimido[5,4-f]azepine: synthesis, concomitant polymorphism and supramolecular assembly mediated by C—H···N, C—H···π(arene) and C—Cl···π(arene) interactions Acta Crystallographica Section C 75(6) (2019)
Space group: C 1 c 1
Cell volume: 1884.4
Cell parameters: 12.901; 20.055; 8.7001; 90; 123.161; 90;

COD ID: 2021632

Formula: - C21 H20 Cl N5 -
Comments: Acosta Quintero, Lina M.; Palma, Alirio; Choquesillo-Lazarte, Duane; Cobo, Justo; Glidewell, Christopher Monoclinic and orthorhombic forms of (RS)-(E)-4-[2-(4-chlorobenzylidene)hydrazinyl]-6,11-dimethyl-6,11-dihydro-5H-benzo[b]pyrimido[5,4-f]azepine: synthesis, concomitant polymorphism and supramolecular assembly mediated by C—H···N, C—H···π(arene) and C—Cl···π(arene) interactions Acta Crystallographica Section C 75(6) (2019)
Space group: P n a 21
Cell volume: 1829.69
Cell parameters: 8.8623; 14.4656; 14.2723; 90; 90; 90;

COD ID: 2021633

Formula: - C17 H12 F2 O -
Comments: Ferreira, Lívia O. A.; Valdo, Ana Karoline S. M.; Nascimento Neto, José Antônio; Ribeiro, Leandro; da Silva, Jefferson R. D.; Queiroz Jr., Luiz H. K.; Perez, Caridad N.; Martins, Felipe T. ss-NMR and single-crystal X-ray diffraction in the elucidation of a new polymorph of bischalcone (1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one Acta Crystallographica Section C 75(6) (2019)
Space group: C 1 2/c 1
Cell volume: 1358.2
Cell parameters: 30.184; 5.8907; 7.7144; 90; 98.04; 90;

COD ID: 2021634

Formula: - C51 H37 Cl4 F6 Fe N5 O Sb -
Comments: Short, Melanie A.; Sommer, Roger D.; Falzone, Alec J.; Huang, Tao; Weare, Walter W.; Roizen, Jennifer L. A five-coordinate iron(III) porphyrin complex including a neutral axial pyridine N-oxide ligand Acta Crystallographica Section C 75(6) (2019)
Space group: P -1
Cell volume: 4731.2
Cell parameters: 15.3886; 15.9246; 20.2111; 97.8276; 105.173; 90.3499;

COD ID: 2021635

Formula: - C20 H17 Cu N3 O9 -
Comments: Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L. Understanding metal‒ligand interactions in coordination polymers using Hirshfeld surface analysis Acta Crystallographica Section C 75(6) (2019)
Space group: P 1 21/c 1
Cell volume: 2004.2
Cell parameters: 16.6652; 6.6975; 18.6763; 90; 105.963; 90;

COD ID: 2021636

Formula: - C72 H82 Co Eu2 N12 O42 -
Comments: Han, Lizhi; Jin, Longyi; Wang, Enbo; Su, Zhongmin Synthesis and characterization of two isostructural 3d‒4f coordination compounds based on pyridine-2,6-dicarboxylic acid and 4,4'-bipyridine Acta Crystallographica Section C 75(6) (2019)
Space group: P -1
Cell volume: 2115.5
Cell parameters: 11.9021; 12.68; 14.867; 98.597; 99.6; 102.882;

COD ID: 2021637

Formula: - C72 H82 Co N12 O42 Tb2 -
Comments: Han, Lizhi; Jin, Longyi; Wang, Enbo; Su, Zhongmin Synthesis and characterization of two isostructural 3d‒4f coordination compounds based on pyridine-2,6-dicarboxylic acid and 4,4'-bipyridine Acta Crystallographica Section C 75(6) (2019)
Space group: P -1
Cell volume: 2106.78
Cell parameters: 11.8977; 12.649; 14.8487; 98.518; 99.901; 102.715;

COD ID: 2021638

Formula: - La18 O57 W10 -
Comments: Novikova, Nataliya E.; Sorokin, Timofei A.; Antipin, Alexander M.; Bolotina, Nadezhda B.; Alekseeva, Olga A.; Sorokina, Nataliya I.; Voronkova, Valentina I. Characteristic features of polytypism in compounds with the La~18~W~10~O~57~-type structure Acta Crystallographica Section C 75(6) (2019)
Space group: P -6 2 c
Cell volume: 2306.5
Cell parameters: 9.0318; 9.0318; 32.6499; 90; 90; 120;

COD ID: 2021639

Formula: - La15 O48 W8.5 -
Comments: Novikova, Nataliya E.; Sorokin, Timofei A.; Antipin, Alexander M.; Bolotina, Nadezhda B.; Alekseeva, Olga A.; Sorokina, Nataliya I.; Voronkova, Valentina I. Characteristic features of polytypism in compounds with the La~18~W~10~O~57~-type structure Acta Crystallographica Section C 75(6) (2019)
Space group: P 3 2 1
Cell volume: 1933.43
Cell parameters: 9.0363; 9.0363; 27.3412; 90; 90; 120;

COD ID: 2021640

Formula: - C7 H15 N3 O -
Comments: Qiao, Liang; Chen, Xiao-Gang; Gao, Ji-Xing; Ai, Yong Three new quinuclidine-based structures: second harmonic generation response for 1,2-bis(1-azoniabicyclo[2.2.2]octan-3-ylidene)hydrazine dichloride Acta Crystallographica Section C 75(6) (2019)
Space group: P 1 21/c 1
Cell volume: 844.29
Cell parameters: 11.2687; 8.369; 8.9974; 90; 95.724; 90;

COD ID: 2021641

Formula: - C14 H22 N4 -
Comments: Qiao, Liang; Chen, Xiao-Gang; Gao, Ji-Xing; Ai, Yong Three new quinuclidine-based structures: second harmonic generation response for 1,2-bis(1-azoniabicyclo[2.2.2]octan-3-ylidene)hydrazine dichloride Acta Crystallographica Section C 75(6) (2019)
Space group: P c c n
Cell volume: 1301.08
Cell parameters: 19.7143; 6.6047; 9.9924; 90; 90; 90;

COD ID: 2021642

Formula: - C14 H24 Cl2 N4 -
Comments: Qiao, Liang; Chen, Xiao-Gang; Gao, Ji-Xing; Ai, Yong Three new quinuclidine-based structures: second harmonic generation response for 1,2-bis(1-azoniabicyclo[2.2.2]octan-3-ylidene)hydrazine dichloride Acta Crystallographica Section C 75(6) (2019)
Space group: P 1 c 1
Cell volume: 802.42
Cell parameters: 6.1699; 12.5258; 10.657; 90; 103.023; 90;

COD ID: 2021643

Formula: - C39 H40.41 Cl F6 N3 Ni O0.7 P3 -
Comments: Subramaniyan, Vasudevan; Kumar, Ashok; Govindaraj, Anbarasu; Mani, Ganesan Crystal structure and DFT analyses of a pentacoordinated PCP pincer nickel(II) complex Acta Crystallographica Section C 75(6) (2019)
Space group: P -1
Cell volume: 1941.11
Cell parameters: 9.7632; 10.8846; 18.5771; 99.687; 91.504; 93.472;

COD ID: 2021644

Formula: - C39 H27 Cd N2 O5.5 -
Comments: Ren, Xiu-Hui; Li, Gang-Yuan; Du, Hua; Ma, Jian-Ping; Geng, Yan; Dong, Yu-bin Thermally activated delayed fluorescent (TADF) coordination polymer with the generation of singlet oxygen Acta Crystallographica Section C 75(6) (2019)
Space group: C 1 2/c 1
Cell volume: 9563.5
Cell parameters: 27.4361; 9.0861; 40.473; 90; 108.581; 90;

COD ID: 2021645

Formula: - C39 H26 N2 O4 -
Comments: Ren, Xiu-Hui; Li, Gang-Yuan; Du, Hua; Ma, Jian-Ping; Geng, Yan; Dong, Yu-bin Thermally activated delayed fluorescent (TADF) coordination polymer with the generation of singlet oxygen Acta Crystallographica Section C 75(6) (2019)
Space group: P -1
Cell volume: 1931.2
Cell parameters: 12.6717; 13.0727; 13.9254; 65.029; 75.294; 68.42;

COD ID: 2021646

Formula: - C17 H13 Cl N2 O2 -
Comments: Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Manju, Nagaraj; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher Conversion of substituted 5-aryloxypyrazolecarbaldehydes into reduced 3,4'-bipyrazoles: synthesis and characterization, and the structures of four precursors and two products, and their supramolecular assembly in zero, one and two dimensions Acta Crystallographica Section C 75(6) (2019)
Space group: P -1
Cell volume: 1509.47
Cell parameters: 10.3034; 11.4856; 14.4725; 81.013; 69.861; 69.99;

COD ID: 2021647

Formula: - C17 H13 N3 O4 -
Comments: Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Manju, Nagaraj; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher Conversion of substituted 5-aryloxypyrazolecarbaldehydes into reduced 3,4'-bipyrazoles: synthesis and characterization, and the structures of four precursors and two products, and their supramolecular assembly in zero, one and two dimensions Acta Crystallographica Section C 75(6) (2019)
Space group: P 1 21/c 1
Cell volume: 1551.47
Cell parameters: 14.1163; 11.7268; 9.3982; 90; 94.259; 90;

COD ID: 2021648

Formula: - C21 H16 N2 O2 -
Comments: Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Manju, Nagaraj; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher Conversion of substituted 5-aryloxypyrazolecarbaldehydes into reduced 3,4'-bipyrazoles: synthesis and characterization, and the structures of four precursors and two products, and their supramolecular assembly in zero, one and two dimensions Acta Crystallographica Section C 75(6) (2019)
Space group: P 1 21/n 1
Cell volume: 1691.7
Cell parameters: 7.7302; 17.255; 13.1989; 90; 106.079; 90;

COD ID: 2021649

Formula: - C16 H19 N3 O -
Comments: Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Manju, Nagaraj; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher Conversion of substituted 5-aryloxypyrazolecarbaldehydes into reduced 3,4'-bipyrazoles: synthesis and characterization, and the structures of four precursors and two products, and their supramolecular assembly in zero, one and two dimensions Acta Crystallographica Section C 75(6) (2019)
Space group: P 1 21/n 1
Cell volume: 1439
Cell parameters: 8.9432; 16.0546; 10.1155; 90; 97.777; 90;

COD ID: 2021650

Formula: - C27 H22 Cl N7 O2 -
Comments: Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Manju, Nagaraj; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher Conversion of substituted 5-aryloxypyrazolecarbaldehydes into reduced 3,4'-bipyrazoles: synthesis and characterization, and the structures of four precursors and two products, and their supramolecular assembly in zero, one and two dimensions Acta Crystallographica Section C 75(6) (2019)
Space group: P -1
Cell volume: 1249.15
Cell parameters: 10.8804; 11.3363; 11.5737; 97.294; 90.05; 117.84;

COD ID: 2021651

Formula: - C31 H25 N7 O2 -
Comments: Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Manju, Nagaraj; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher Conversion of substituted 5-aryloxypyrazolecarbaldehydes into reduced 3,4'-bipyrazoles: synthesis and characterization, and the structures of four precursors and two products, and their supramolecular assembly in zero, one and two dimensions Acta Crystallographica Section C 75(6) (2019)
Space group: P -1
Cell volume: 1335.9
Cell parameters: 10.4911; 11.2048; 13.5943; 105.323; 93.505; 117.46;

COD ID: 2021652

Formula: - C16 H14 O3 -
Comments: Rossi, Patrizia; Paoli, Paola; Ienco, Andrea; Biagi, Diletta; Valleri, Maurizio; Conti, Luca A new crystal form of the NSAID dexketoprofen Acta Crystallographica Section C 75(6) (2019)
Space group: P 1 21 1
Cell volume: 1258.9
Cell parameters: 7.6172; 6.0317; 27.401; 90; 90.533; 90;

COD ID: 2021653

Formula: - C17 H11 N3 O2 -
Comments: Shishkina, Svitlana V.; Konovalova, Irina S.; Trostianko, Pavlo V.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D. Three polymorphs of 3-(3-phenyl-1H-1,2,4-triazol-5-yl)-2H-1-benzopyran-2-one formed from different solvents Acta Crystallographica Section C 75(6) (2019) 822-832
Space group: P -1
Cell volume: 1381
Cell parameters: 6.8415; 10.8931; 20.163; 74.965; 83.815; 72.183;

COD ID: 2021654

Formula: - C17 H11 N3 O2 -
Comments: Shishkina, Svitlana V.; Konovalova, Irina S.; Trostianko, Pavlo V.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D. Three polymorphs of 3-(3-phenyl-1H-1,2,4-triazol-5-yl)-2H-1-benzopyran-2-one formed from different solvents Acta Crystallographica Section C 75(6) (2019) 822-832
Space group: P 1 21 1
Cell volume: 1381.7
Cell parameters: 6.8355; 19.512; 10.881; 90; 107.811; 90;

COD ID: 2021655

Formula: - C17 H11 N3 O2 -
Comments: Shishkina, Svitlana V.; Konovalova, Irina S.; Trostianko, Pavlo V.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D. Three polymorphs of 3-(3-phenyl-1H-1,2,4-triazol-5-yl)-2H-1-benzopyran-2-one formed from different solvents Acta Crystallographica Section C 75(6) (2019) 822-832
Space group: P b c a
Cell volume: 2766.4
Cell parameters: 13.0369; 13.0804; 16.2223; 90; 90; 90;

COD ID: 2021656

Formula: - C54 H48 Cd Cl2 N12 O9.5 -
Comments: Wang, Jia; You, Tianchao; Wang, Teng; Liu, Qikui; Ma, Jianping; Jin, Guoxia Adsorption behaviour of a CdII‒triazole MOF for butan-2-one in a single-crystal-to-single-crystal (SCSC) fashion: the role of hydrogen bonding and C—H...π interactions Acta Crystallographica Section C Structural Chemistry 75(6) (2019) 806
Space group: P 43 21 2
Cell volume: 5459.5
Cell parameters: 15.9167; 15.9167; 21.5498; 90; 90; 90;

COD ID: 2021658

Formula: - C24 H23 Br3 N4 O5 Zn -
Comments: Xu, Jie; Zhang, Kou-Lin Preparation, characterization and luminescence-sensing properties of two ZnII MOFs with mixed 5-amino-2,4,6-tribromoisophthalic acid and bipyridyl-type ligands Acta Crystallographica Section C Structural Chemistry 75(7) (2019)
Space group: P 1 21/n 1
Cell volume: 2762.83
Cell parameters: 8.6877; 15.179; 20.9944; 90; 93.6833; 90;

COD ID: 2021659

Formula: - C22 H22 Br3 N5 O9 Zn -
Comments: Xu, Jie; Zhang, Kou-Lin Preparation, characterization and luminescence-sensing properties of two ZnII MOFs with mixed 5-amino-2,4,6-tribromoisophthalic acid and bipyridyl-type ligands Acta Crystallographica Section C Structural Chemistry 75(7) (2019)
Space group: P 21 21 21
Cell volume: 2649.9
Cell parameters: 8.5083; 13.8444; 22.496; 90; 90; 90;

COD ID: 2021660

Formula: - C42 H27 Cl2 Na Ni8 O15 S6 -
Comments: Zhu, Jingyan; Yan, Shan; Xiao, Hongping; Jiang, Jun; Li, Xinhua Nickel(II) cluster-based mixed-cation coordination polymer synthesized from 2-mercaptobenzoic acid and its application Acta Crystallographica Section C 75(7) (2019)
Space group: P 63/m
Cell volume: 2764.3
Cell parameters: 13.2027; 13.2027; 18.3116; 90; 90; 120;

COD ID: 2021661

Formula: - Eu5 K3 O24 P6 -
Comments: Xue, Ya-Li; Zhang, Ai-Yun; Han, Xiao-Yang; Cui, Xiao-Qi; Deng, Ling; Zhou, Yi-Xiang; Yu, Ya-Ping; Zhao, Dan K~3~Eu~5~(PO~4~)~6~: hydrothermal synthesis, crystal structure and photoluminescence properties Acta Crystallographica Section C 75(7) (2019)
Space group: C 1 2/c 1
Cell volume: 2008
Cell parameters: 17.495; 6.9483; 18.1452; 90; 114.447; 90;

COD ID: 2021662

Formula: - C13 H10 N4 S -
Comments: Castiñeiras, Alfonso; García-Santos, Isabel; Saa, Manuel Design and synthesis of methyl 2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate (phpy2NS) as a ligand for complexes of Group 12 elements: structural assessment and hydrogen-bonded supramolecular assembly analysis Acta Crystallographica Section C 75(7) (2019)
Space group: P 1 21/c 1
Cell volume: 2372.36
Cell parameters: 28.6467; 5.6358; 15.1374; 90; 103.896; 90;

COD ID: 2021663

Formula: - C16 H14 N4 O2 S -
Comments: Castiñeiras, Alfonso; García-Santos, Isabel; Saa, Manuel Design and synthesis of methyl 2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate (phpy2NS) as a ligand for complexes of Group 12 elements: structural assessment and hydrogen-bonded supramolecular assembly analysis Acta Crystallographica Section C 75(7) (2019)
Space group: P 1 21/c 1
Cell volume: 1512.06
Cell parameters: 5.5945; 18.9451; 14.2664; 90; 90.247; 90;

COD ID: 2021664

Formula: - C34 H36 Br6 Cd2.24 N8 O6 S2 Zn0.76 -
Comments: Castiñeiras, Alfonso; García-Santos, Isabel; Saa, Manuel Design and synthesis of methyl 2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate (phpy2NS) as a ligand for complexes of Group 12 elements: structural assessment and hydrogen-bonded supramolecular assembly analysis Acta Crystallographica Section C 75(7) (2019)
Space group: P 1 21/n 1
Cell volume: 2379.71
Cell parameters: 11.498; 13.7848; 15.0417; 90; 93.466; 90;

COD ID: 2021665

Formula: - C16 H14 Cl2 Hg N4 O2 S -
Comments: Castiñeiras, Alfonso; García-Santos, Isabel; Saa, Manuel Design and synthesis of methyl 2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate (phpy2NS) as a ligand for complexes of Group 12 elements: structural assessment and hydrogen-bonded supramolecular assembly analysis Acta Crystallographica Section C 75(7) (2019)
Space group: P -1
Cell volume: 960.04
Cell parameters: 8.5198; 9.4709; 13.9682; 105.05; 95.083; 115.081;

COD ID: 2021666

Formula: - C5 H6 O8 Pb -
Comments: Silverman, Joshua A.; Mathivathanan, Logesh; Govor, Evgen V.; Raptis, Raphael G.; Kavallieratos, Konstantinos Coordination polymers of Cd^II^ and Pb^II^ with croconate show remarkable differences in coordination patterns: a structural and spectroscopic study Acta Crystallographica Section C 75(7) (2019)
Space group: P -1
Cell volume: 409.3
Cell parameters: 6.436; 7.9058; 8.3495; 104.055; 90.956; 96.2;

COD ID: 2021667

Formula: - C5 H6 Cd O8 -
Comments: Silverman, Joshua A.; Mathivathanan, Logesh; Govor, Evgen V.; Raptis, Raphael G.; Kavallieratos, Konstantinos Coordination polymers of Cd^II^ and Pb^II^ with croconate show remarkable differences in coordination patterns: a structural and spectroscopic study Acta Crystallographica Section C 75(7) (2019)
Space group: P 1 21/n 1
Cell volume: 792.36
Cell parameters: 6.5123; 8.8174; 13.8763; 90; 96.053; 90;

COD ID: 2021668

Formula: - C26 H24 Cu2 N16 O2 -
Comments: Xie, Long-Yan; Zhang, Yu; Xu, Hao; Gong, Chang-Da; Du, Xiu-Li; Li, Yang; Wang, Meng; Qin, Jie Synthesis, structure and bioactivity of Ni^2+^ and Cu^2+^ acylhydrazone complexes Acta Crystallographica Section C 75(7) (2019)
Space group: P -1
Cell volume: 729.81
Cell parameters: 7.8491; 7.8762; 12.3391; 100.236; 94.225; 101.865;

COD ID: 2021669

Formula: - C26 H24 N10 Ni O2 -
Comments: Xie, Long-Yan; Zhang, Yu; Xu, Hao; Gong, Chang-Da; Du, Xiu-Li; Li, Yang; Wang, Meng; Qin, Jie Synthesis, structure and bioactivity of Ni^2+^ and Cu^2+^ acylhydrazone complexes Acta Crystallographica Section C 75(7) (2019)
Space group: P b c n
Cell volume: 2617.5
Cell parameters: 11.9385; 9.7023; 22.5975; 90; 90; 90;

COD ID: 2021670

Formula: - C46 H46 N2 O4 -
Comments: Lee, Sunhee; Kwak, Soyoung; Lee, Keumhee; Kim, Byung Gi; Kim, Minseong; Wang, Dong Hwan; Han, Won-Sik Tuning the energy level of TAPC: crystal structure and photophysical and electrochemical properties of 4,4'-(cyclohexane-1,1-diyl)bis[N,N-bis(4-methoxyphenyl)aniline] Acta Crystallographica Section C 75(7) (2019)
Space group: P -1
Cell volume: 3780.1
Cell parameters: 13.1586; 13.1881; 23.6681; 84.996; 88.444; 67.5;

COD ID: 2021671

Formula: - C12 H22 O11 -
Comments: Nicholls, Daniel; Elleman, Carole; Shankland, Norman; Shankland, Kenneth A new crystalline form of αβ-D-lactose prepared by oven drying a concentrated aqueous solution of D-lactose Acta Crystallographica Section C 75(7) (2019)
Space group: P 1 21 1
Cell volume: 1411.26
Cell parameters: 5.0044; 38.6364; 7.6007; 90; 106.2; 90;

COD ID: 2021672

Formula: - C28 H45 Cl2 N5 Pd -
Comments: Karabıyık, Hande; Yiğit, Beyhan; Yiğit, Murat; Özdemir, İsmail; Karabıyık, Hasan Enhanced π-back-donation resulting in the trans labilization of a pyridine ligand in an N-heterocyclic carbene (NHC) Pd^II^ precatalyst: a case study Acta Crystallographica Section C 75(7) (2019)
Space group: P 1 21/c 1
Cell volume: 3067.5
Cell parameters: 10.1029; 15.9363; 19.3855; 90; 100.64; 90;

COD ID: 2021681

Formula: - C10 H18 Cl3 Cu N3 O2 -
Comments: Mardani, Zahra; Hakimi, Mohammad; Moeini, Keyvan; Mohr, Fabian Reaction of 2-[(2-aminoethyl)amino]ethanol with pyridine-2-carbaldehyde and complexation of the products with Cu^II^ and Cd^II^ along with docking studies Acta Crystallographica Section C 75(7) (2019)
Space group: P 1 21/n 1
Cell volume: 1480.09
Cell parameters: 7.1296; 6.9197; 30.0061; 90; 91.066; 90;

COD ID: 2021682

Formula: - C16 H18 Cd Cl2 N4 O -
Comments: Mardani, Zahra; Hakimi, Mohammad; Moeini, Keyvan; Mohr, Fabian Reaction of 2-[(2-aminoethyl)amino]ethanol with pyridine-2-carbaldehyde and complexation of the products with Cu^II^ and Cd^II^ along with docking studies Acta Crystallographica Section C 75(7) (2019)
Space group: P 1 21/c 1
Cell volume: 1693.23
Cell parameters: 14.0924; 7.7111; 15.5819; 90; 90.317; 90;

COD ID: 2021683

Formula: - C22 H18 Ag Au N8 -
Comments: Hsu, Wayne Luminescence properties and optimized structural conformations of the S~0~, S~1~ and T~1~ states of a tetranuclear formamidinate complex based on Au^I^ and Ag^I^ metal ions Acta Crystallographica Section C 75(7) (2019)
Space group: P -4 n 2
Cell volume: 4952.1
Cell parameters: 16.535; 16.535; 18.1127; 90; 90; 90;

COD ID: 2021684

Formula: - C34 H26 N4 O7 S Zn -
Comments: Pan, Chen-Dong; Wang, Jun; Xu, Ju-Qin; Zhang, Kang-Feng; Wang, Xiao-Wan A threefold interpenetrating two-dimensional zinc(II) coordination polymer: synthesis, crystal structure and selective luminescence sensing properties Acta Crystallographica Section C 75(7) (2019)
Space group: P 1 21/n 1
Cell volume: 3103
Cell parameters: 11.502; 20.059; 13.735; 90; 101.716; 90;

COD ID: 2021685

Formula: - C24 H16 Co N2 O5 -
Comments: Lan, Wenlong; Zhou, Zhen; Jia, Fu-Chao; Hao, Xiaoyun; Dou, Yong; Yang, Lu; Liu, Hui; Liu, Qingyun; Zhang, Daopeng A new three-dimensional cobalt(II) coordination polymer based on V-shaped 3,4'-oxydibenzoate: synthesis, crystal structure and magnetic properties Acta Crystallographica Section C 75(7) (2019)
Space group: P 1 21/c 1
Cell volume: 2126.4
Cell parameters: 9.506; 22.483; 10.684; 90; 111.37; 90;

COD ID: 2021686

Formula: - C24 H26 N4 O -
Comments: Böhme, Uwe; Schwarzer, Anke; Günther, Betty The heteroscorpionate ligand 2,2-bis(3,5-dimethylpyrazol-1-yl)-1,1-diphenylethanol and an easy preparation of its tungsten complex Acta Crystallographica Section C 75(7) (2019)
Space group: P b c n
Cell volume: 4209.7
Cell parameters: 19.0555; 12.384; 17.8388; 90; 90; 90;

COD ID: 2021687
CIF file Original IUCr paper	Formula: - C28 H33 Cl N4 O4 W - Comments: Böhme, Uwe; Schwarzer, Anke; Günther, Betty The heteroscorpionate ligand 2,2-bis(3,5-dimethylpyrazol-1-yl)-1,1-diphenylethanol and an easy preparation of its tungsten complex Acta Crystallographica Section C 75(7) (2019) Space group: P 1 c 1 Cell volume: 1365.75 Cell parameters: 9.3157; 8.4063; 17.4678; 90; 93.222; 90;

COD ID: 2021688

Formula: - C21 H16 Co2 N6 O7 -
Comments: Zhang, Ya-Qian; Blatov, Vladislav A.; Lv, Xiu-Xiu; Tang, Ding-Yi; Qian, Lin-Lu; Li, Ke; Li, Bao-Long Construction of (3,8)-connected three-dimensional cobalt(II) and copper(II) coordination polymers with 1,3-bis[(1,2,4-triazol-4-yl)methyl]benzene and benzene-1,3,5-tricarboxylate ligands Acta Crystallographica Section C 75(7) (2019)
Space group: P 1 21/n 1
Cell volume: 2215.97
Cell parameters: 11.06; 17.1537; 11.7342; 90; 95.499; 90;

COD ID: 2021689

Formula: - C42 H38 Cu4 N12 O17 -
Comments: Zhang, Ya-Qian; Blatov, Vladislav A.; Lv, Xiu-Xiu; Tang, Ding-Yi; Qian, Lin-Lu; Li, Ke; Li, Bao-Long Construction of (3,8)-connected three-dimensional cobalt(II) and copper(II) coordination polymers with 1,3-bis[(1,2,4-triazol-4-yl)methyl]benzene and benzene-1,3,5-tricarboxylate ligands Acta Crystallographica Section C 75(7) (2019)
Space group: P -1
Cell volume: 1220.4
Cell parameters: 10.9425; 11.458; 11.6193; 89.524; 69.945; 64.669;

COD ID: 2021690

Formula: - C78 H91 Cd3 N42 O3.5 S6 -
Comments: Wang, Xia; Ling, Ning; Li, Hanbing; Xiao, Xiaohe; Zhang, Yawen Synthesis, crystal structure and biological properties of Cd and Zn coordination polymers based on a flexible tripodal ligand Acta Crystallographica Section C 75(7) (2019)
Space group: C 1 2/c 1
Cell volume: 9360.1
Cell parameters: 24.1578; 16.1342; 24.0155; 90; 90.4848; 90;

COD ID: 2021691

Formula: - C156 H182 N84 O7 S12 Zn6 -
Comments: Wang, Xia; Ling, Ning; Li, Hanbing; Xiao, Xiaohe; Zhang, Yawen Synthesis, crystal structure and biological properties of Cd and Zn coordination polymers based on a flexible tripodal ligand Acta Crystallographica Section C 75(7) (2019)
Space group: C 1 2/c 1
Cell volume: 9169.9
Cell parameters: 23.8845; 16.222; 23.6679; 90; 90.502; 90;

COD ID: 2021692

Formula: - C13 H10 N2 O6 S -
Comments: Bomfim Filho, Lucius Flavius Ourives; Rocha, Cleidivania; Rodrigues, Bernardo Lages; Beraldo, Heloisa; Teixeira, Leticia Regina Synthesis, crystal structure and studies on the interaction with albumin of a new silver(I) complex based on 2-(4-nitrobenzenesulfonamido)benzoic acid Acta Crystallographica Section C 75(7) (2019) 1011-1020
Space group: P -1
Cell volume: 661.77
Cell parameters: 6.914; 10.0641; 10.1532; 102.153; 100.951; 99.745;

COD ID: 2021693

Formula: - C13 H9 Ag N2 O6 S -
Comments: Bomfim Filho, Lucius Flavius Ourives; Rocha, Cleidivania; Rodrigues, Bernardo Lages; Beraldo, Heloisa; Teixeira, Leticia Regina Synthesis, crystal structure and studies on the interaction with albumin of a new silver(I) complex based on 2-(4-nitrobenzenesulfonamido)benzoic acid Acta Crystallographica Section C 75(7) (2019) 1011-1020
Space group: P 1 21/c 1
Cell volume: 1365.08
Cell parameters: 19.9216; 5.2391; 13.086; 90; 91.864; 90;

COD ID: 2021696

Formula: - C10 H9 N O4 -
Comments: Pogoda, Dorota; Janczak, Jan; Pawlak, Sylwia; Zaworotko, Michael; Videnova-Adrabinska, Veneta Tautomeric polymorphism of the neuroactive inhibitor kynurenic acid Acta Crystallographica Section C 75(6) (2019) 793-805
Space group: P c c n
Cell volume: 1771.69
Cell parameters: 13.9295; 17.8065; 7.1429; 90; 90; 90;

COD ID: 2021697

Formula: - C12 H13 N O4 S -
Comments: Pogoda, Dorota; Janczak, Jan; Pawlak, Sylwia; Zaworotko, Michael; Videnova-Adrabinska, Veneta Tautomeric polymorphism of the neuroactive inhibitor kynurenic acid Acta Crystallographica Section C 75(6) (2019) 793-805
Space group: P 21 21 21
Cell volume: 1225.09
Cell parameters: 4.9552; 10.8444; 22.7982; 90; 90; 90;

COD ID: 2021698

Formula: - C16 H10 N4 O2 -
Comments: Marandi, Farzin; Moeini, Keyvan; Mardani, Zahra; Krautscheid, Harald Spectral, structural and theoretical study of the effects of thiocyanato and dicyanamido ligands on the geometry of PbII complexes containing a triazinic ligand Acta Crystallographica Section C Structural Chemistry 75(8) (2019)
Space group: P 1 21/n 1
Cell volume: 1332.92
Cell parameters: 9.0313; 10.2649; 14.3901; 90; 92.35; 90;

COD ID: 2021699

Formula: - C34 H20 N10 O4 Pb S2 -
Comments: Marandi, Farzin; Moeini, Keyvan; Mardani, Zahra; Krautscheid, Harald Spectral, structural and theoretical study of the effects of thiocyanato and dicyanamido ligands on the geometry of PbII complexes containing a triazinic ligand Acta Crystallographica Section C Structural Chemistry 75(8) (2019)
Space group: P 1 21/c 1
Cell volume: 3313.2
Cell parameters: 19.7746; 6.7721; 25.0692; 90; 99.286; 90;

COD ID: 2021700

Formula: - C68 H40 N24 O14 Pb2 -
Comments: Marandi, Farzin; Moeini, Keyvan; Mardani, Zahra; Krautscheid, Harald Spectral, structural and theoretical study of the effects of thiocyanato and dicyanamido ligands on the geometry of PbII complexes containing a triazinic ligand Acta Crystallographica Section C Structural Chemistry 75(8) (2019)
Space group: P -1
Cell volume: 1712.8
Cell parameters: 10.5123; 12.2682; 15.6379; 66.834; 80.26; 67.514;

COD ID: 2021701

Formula: - C5 H7 N5 O5 -
Comments: Cabaj, Małgorzata Katarzyna; Gajda, Roman; Hoser, Anna; Makal, Anna; Dominiak, Paulina Maria Differences and similarities among hypoxanthinium nitrate hydrate structures Acta Crystallographica Section C 75(8) (2019)
Space group: P 1 21/n 1
Cell volume: 842.38
Cell parameters: 6.1381; 13.7467; 10.0349; 90; 95.813; 90;

COD ID: 2021702

Formula: - C5 H7 N5 O5 -
Comments: Cabaj, Małgorzata Katarzyna; Gajda, Roman; Hoser, Anna; Makal, Anna; Dominiak, Paulina Maria Differences and similarities among hypoxanthinium nitrate hydrate structures Acta Crystallographica Section C 75(8) (2019)
Space group: P m n b
Cell volume: 864.8
Cell parameters: 6.241; 13.726; 10.095; 90; 90; 90;

COD ID: 2021703

Formula: - C5 H12 N6 O10 -
Comments: Cabaj, Małgorzata Katarzyna; Gajda, Roman; Hoser, Anna; Makal, Anna; Dominiak, Paulina Maria Differences and similarities among hypoxanthinium nitrate hydrate structures Acta Crystallographica Section C 75(8) (2019)
Space group: P 1 21/n 1
Cell volume: 1203.9
Cell parameters: 10.8485; 10.1717; 11.2851; 90; 104.812; 90;

COD ID: 2021704

Formula: - C5 H12 N6 O10 -
Comments: Cabaj, Małgorzata Katarzyna; Gajda, Roman; Hoser, Anna; Makal, Anna; Dominiak, Paulina Maria Differences and similarities among hypoxanthinium nitrate hydrate structures Acta Crystallographica Section C 75(8) (2019)
Space group: P 1 21/n 1
Cell volume: 1210.73
Cell parameters: 10.9025; 10.1712; 11.3174; 90; 105.264; 90;

COD ID: 2021705

Formula: - C5 H7 N5 O5 -
Comments: Cabaj, Małgorzata Katarzyna; Gajda, Roman; Hoser, Anna; Makal, Anna; Dominiak, Paulina Maria Differences and similarities among hypoxanthinium nitrate hydrate structures Acta Crystallographica Section C 75(8) (2019)
Space group: P 1 21/n 1
Cell volume: 838.8
Cell parameters: 6.1156; 13.754; 10.0367; 90; 96.52; 90;

COD ID: 2021706

Formula: - C28 H26 Cu N10 O6 -
Comments: Qian, Lin-Lu; Wang, Zhi-Xiang; Tian, Hai-Xin; Li, Min; Li, Bao-Long; Li, Hai-Yan Synthesis, structure and photocatalytic degradation of organic dyes of a copper(II) metal‒organic framework (Cu‒MOF) with a 4-coordinated three-dimensional CdSO~4~ topology Acta Crystallographica Section C 75(8) (2019)
Space group: P 1 21/n 1
Cell volume: 2888
Cell parameters: 9.2402; 25.5312; 12.5727; 90; 103.173; 90;

COD ID: 2021707

Formula: - C9 H9 Cd N O8 -
Comments: Shao, Zhi-Chao; Meng, Xiang-Ru; Hou, Hong-Wei Two new Cd^II^ and Zn^II^ coordination polymers incorporating 1-aminobenzene-3,4,5-tricarboxylic acid: synthesis, crystal structure and characterization Acta Crystallographica Section C 75(8) (2019)
Space group: P 1 21/n 1
Cell volume: 1039.89
Cell parameters: 7.0872; 8.4024; 17.4973; 90; 93.608; 90;

COD ID: 2021708

Formula: - C18 H18 N2 O17 Zn3 -
Comments: Shao, Zhi-Chao; Meng, Xiang-Ru; Hou, Hong-Wei Two new Cd^II^ and Zn^II^ coordination polymers incorporating 1-aminobenzene-3,4,5-tricarboxylic acid: synthesis, crystal structure and characterization Acta Crystallographica Section C 75(8) (2019)
Space group: P -1
Cell volume: 1108.83
Cell parameters: 7.248; 9.3135; 17.2244; 102.62; 95.86; 99.15;

COD ID: 2021709

Formula: - C33 H27 N O2 S -
Comments: Jia, Lei; Zhang, Jun; Du, Lin A novel tetraphenylethylene derivative: 4-methyl-N-[3-(1,2,2-triphenylethenyl)phenyl]benzenesulfonamide with aggregation-induced emission Acta Crystallographica Section C 75(8) (2019)
Space group: P 1 21/c 1
Cell volume: 2679.11
Cell parameters: 16.4855; 9.2994; 19.0422; 90; 113.403; 90;

COD ID: 2021710

Formula: - C24 H28 Al N3 O10 -
Comments: Truscott, James Charles; Conradie, Jeanet; Swart, Hendrik C.; Duvenhage, Mart-Marie; Visser, Hendrik Gideon Synthesis, crystal structures, photoluminescence, electrochemistry and DFT study of aluminium(III) and gallium(III) complexes containing a novel tetradentate Schiff base ligand Acta Crystallographica Section C 75(8) (2019)
Space group: P -1
Cell volume: 2455.1
Cell parameters: 12.413; 13.394; 16.368; 87.899; 79.578; 66.635;

COD ID: 2021711

Formula: - C24 H28 Ga N3 O10 -
Comments: Truscott, James Charles; Conradie, Jeanet; Swart, Hendrik C.; Duvenhage, Mart-Marie; Visser, Hendrik Gideon Synthesis, crystal structures, photoluminescence, electrochemistry and DFT study of aluminium(III) and gallium(III) complexes containing a novel tetradentate Schiff base ligand Acta Crystallographica Section C 75(8) (2019)
Space group: P -1
Cell volume: 2479.7
Cell parameters: 12.399; 13.58; 16.419; 86.818; 78.871; 66.124;

COD ID: 2021712

Formula: - C20 H23 F3 N4 O3 S -
Comments: Zhang, Gang; Aldrich, Courtney C. Macozinone: revised synthesis and crystal structure of a promising new drug for treating drug-sensitive and drug-resistant tuberculosis Acta Crystallographica Section C 75(8) (2019)
Space group: P 1 21/c 1
Cell volume: 2098.3
Cell parameters: 15.051; 5.295; 26.548; 90; 97.372; 90;

COD ID: 2021713

Formula: - C4 H8 Ba O8 -
Comments: Priya Vadhana, K. T.; Parveen, S.; Ushadevi, B.; Selvakumar, R.; Sangeetha, S.; Vairam, S. New barium, strontium and strontium-doped barium squarates: synthesis, crystal structures and DNA/BSA binding, antioxidant and in vitro cytotoxicity studies Acta Crystallographica Section C 75(8) (2019)
Space group: P -1
Cell volume: 438.3
Cell parameters: 6.8216; 8.1815; 8.8083; 95.146; 106.652; 108.317;

COD ID: 2021714

Formula: - C4 H6 O7 Sr -
Comments: Priya Vadhana, K. T.; Parveen, S.; Ushadevi, B.; Selvakumar, R.; Sangeetha, S.; Vairam, S. New barium, strontium and strontium-doped barium squarates: synthesis, crystal structures and DNA/BSA binding, antioxidant and in vitro cytotoxicity studies Acta Crystallographica Section C 75(8) (2019)
Space group: P -1
Cell volume: 363.45
Cell parameters: 6.0313; 7.7677; 8.6375; 101.27; 94.952; 111.578;

COD ID: 2021715

Formula: - C4 H8 Ba0.85 O8 Sr0.15 -
Comments: Priya Vadhana, K. T.; Parveen, S.; Ushadevi, B.; Selvakumar, R.; Sangeetha, S.; Vairam, S. New barium, strontium and strontium-doped barium squarates: synthesis, crystal structures and DNA/BSA binding, antioxidant and in vitro cytotoxicity studies Acta Crystallographica Section C 75(8) (2019)
Space group: P -1
Cell volume: 439.6
Cell parameters: 6.8271; 8.1878; 8.8227; 95.18; 106.64; 108.33;

COD ID: 2021716

Formula: - C28 H26 Cd Cl2 N12 O15 -
Comments: Tayade, Sakharam B.; Markad, Datta; Kumbhar, Avinash S.; Erxleben, Andrea; Chakravarty, Debamitra Coordination polymers of Cd^II^ and Pb^II^ derived from bipyridine‒glycoluril: influence of metal-ion size and counter-ions Acta Crystallographica Section C 75(8) (2019)
Space group: I 1 2/a 1
Cell volume: 3232.2
Cell parameters: 15.146; 12.2411; 17.6555; 90; 99.104; 90;

COD ID: 2021717

Formula: - C28 H24 Cl2 N12 O14 Pb -
Comments: Tayade, Sakharam B.; Markad, Datta; Kumbhar, Avinash S.; Erxleben, Andrea; Chakravarty, Debamitra Coordination polymers of Cd^II^ and Pb^II^ derived from bipyridine‒glycoluril: influence of metal-ion size and counter-ions Acta Crystallographica Section C 75(8) (2019)
Space group: I 1 2/a 1
Cell volume: 3359.32
Cell parameters: 15.2909; 14.2702; 15.4064; 90; 92.174; 90;

COD ID: 2021718

Formula: - C17 H14 Br N3 O2 S -
Comments: Palanisamy, Vasanthi; Sanphui, Palash; Prakash, Muthuramalingam; Chernyshev, Vladimir Multicomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility study Acta Crystallographica Section C 75(8) (2019)
Space group: P b c a
Cell volume: 3520.7
Cell parameters: 22.1247; 8.7081; 18.2738; 90; 90; 90;

COD ID: 2021719

Formula: - C18 H18 Br N3 O3 S -
Comments: Palanisamy, Vasanthi; Sanphui, Palash; Prakash, Muthuramalingam; Chernyshev, Vladimir Multicomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility study Acta Crystallographica Section C 75(8) (2019)
Space group: P -1
Cell volume: 944.03
Cell parameters: 9.0092; 9.2165; 11.6947; 80.899; 79.931; 88.024;

COD ID: 2021720

Formula: - C19 H20 Br N3 O3 S -
Comments: Palanisamy, Vasanthi; Sanphui, Palash; Prakash, Muthuramalingam; Chernyshev, Vladimir Multicomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility study Acta Crystallographica Section C 75(8) (2019)
Space group: P 1 21/n 1
Cell volume: 1974.6
Cell parameters: 13.292; 7.366; 20.193; 90; 92.857; 90;

COD ID: 2021721

Formula: - C25 H24 Br N7 O4 S -
Comments: Palanisamy, Vasanthi; Sanphui, Palash; Prakash, Muthuramalingam; Chernyshev, Vladimir Multicomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility study Acta Crystallographica Section C 75(8) (2019)
Space group: P 1 21/c 1
Cell volume: 2567.6
Cell parameters: 15.1245; 6.6975; 25.826; 90; 101.045; 90;

COD ID: 2021722

Formula: - C23 H20 Br N5 O3 S -
Comments: Palanisamy, Vasanthi; Sanphui, Palash; Prakash, Muthuramalingam; Chernyshev, Vladimir Multicomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility study Acta Crystallographica Section C 75(8) (2019)
Space group: P 1 21/c 1
Cell volume: 2267.4
Cell parameters: 14.0851; 6.9721; 23.1952; 90; 95.476; 90;

COD ID: 2021723

Formula: - C18 H18 Br N5 O3 S -
Comments: Palanisamy, Vasanthi; Sanphui, Palash; Prakash, Muthuramalingam; Chernyshev, Vladimir Multicomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility study Acta Crystallographica Section C 75(8) (2019)
Space group: P -1
Cell volume: 980.16
Cell parameters: 10.8067; 12.1242; 7.5869; 97.387; 92.495; 95.23;

COD ID: 2021724

Formula: - C18 H18 Br N5 O3 S -
Comments: Palanisamy, Vasanthi; Sanphui, Palash; Prakash, Muthuramalingam; Chernyshev, Vladimir Multicomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility study Acta Crystallographica Section C 75(8) (2019)
Space group: P 1 21/c 1
Cell volume: 3927.1
Cell parameters: 10.9993; 15.229; 24.0797; 90; 103.193; 90;

COD ID: 2021725

Formula: - C44 H34 Co2 N8 O8 -
Comments: Su, Feng; Zhou, Cheng-Yong; Wu, Lin-Tao; Wu, Xi; Su, Jing; Han, Chun; Wang, Zhi-Jun Two Co^II^ coordination polymers of biphenyl-2,2',5,5'-tetracarboxylic acid with flexible N-donor ligands: syntheses, structures and magnetic properties Acta Crystallographica Section C 75(8) (2019)
Space group: P 1 n 1
Cell volume: 1992
Cell parameters: 10.4597; 12.798; 15.0545; 90; 98.709; 90;

COD ID: 2021726