Search results

Formula: - C24 H12 Cl2 Cu N8 S2 -
Comments: Bhat, Satish S.; Revankar, Vidyanand K.; Kumbar, Vijay; Bhat, Kishore; Kawade, Vitthal A. Synthesis, crystal structure and biological properties of a cis-dichloridobis(diimine)copper(II) complex Acta Crystallographica Section C 74(2) (2018)
Space group: C 1 2/c 1
Cell volume: 2286.9
Cell parameters: 8.181; 12.168; 22.99; 90; 92.197; 90;

COD ID: 2020879

Formula: - C36 H75 Cl2 Fe7 N6 O26 -
Comments: van der Horn, Jitschaq A.; Lutz, Martin Triethanolaminate iron perchlorate revisited: change of space group, chemical composition and oxidation states in [Fe~7~(tea)~3~(tea-H)~3~](ClO~4~)~2~ (tea-H~3~ is triethanolamine) Acta Crystallographica Section C 74(2) (2018)
Space group: P a -3
Cell volume: 10776.9
Cell parameters: 22.0884; 22.0884; 22.0884; 90; 90; 90;

COD ID: 2020880

Formula: - C22 H24 Mn N10 O4 -
Comments: Lin, Xiao-Ying; Zheng, Qin-Qin; Gong, Ling-Zhu; Liu, Ya-Min; Liu, Min-Yi; Liu, Xin-Zhong Manganese(II), lead(II) and cadmium(II) coordination complexes containing a tetrazole-based acylamide ligand: synthesis and the influence of the metal ions on the structures Acta Crystallographica Section C 74(2) (2018)
Space group: P -1
Cell volume: 613.4
Cell parameters: 5.9328; 10.245; 10.853; 105.33; 103.2; 94;

COD ID: 2020881

Formula: - C40 H36 N20 O6 Pb2 -
Comments: Lin, Xiao-Ying; Zheng, Qin-Qin; Gong, Ling-Zhu; Liu, Ya-Min; Liu, Min-Yi; Liu, Xin-Zhong Manganese(II), lead(II) and cadmium(II) coordination complexes containing a tetrazole-based acylamide ligand: synthesis and the influence of the metal ions on the structures Acta Crystallographica Section C 74(2) (2018)
Space group: P 1 21/c 1
Cell volume: 2211.8
Cell parameters: 9.1343; 14.26; 16.985; 90; 91.3; 90;

COD ID: 2020882

Formula: - C60 H48 Cd3 N30 O6 -
Comments: Lin, Xiao-Ying; Zheng, Qin-Qin; Gong, Ling-Zhu; Liu, Ya-Min; Liu, Min-Yi; Liu, Xin-Zhong Manganese(II), lead(II) and cadmium(II) coordination complexes containing a tetrazole-based acylamide ligand: synthesis and the influence of the metal ions on the structures Acta Crystallographica Section C 74(2) (2018)
Space group: C 1 2/c 1
Cell volume: 6464
Cell parameters: 20.035; 13.401; 25.119; 90; 106.58; 90;

COD ID: 2020883

Formula: - C14 H14 Ca O8 -
Comments: Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility Acta Crystallographica Section C 74(2) (2018)
Space group: C 1 2/c 1
Cell volume: 1438.5
Cell parameters: 16.4233; 11.5002; 7.6203; 90; 91.914; 90;

COD ID: 2020884

Formula: - C14 H14 Ca0.96 O8 Sr0.04 -
Comments: Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility Acta Crystallographica Section C 74(2) (2018)
Space group: C 1 2/c 1
Cell volume: 1440.96
Cell parameters: 16.4335; 11.4974; 7.6301; 90; 91.778; 90;

COD ID: 2020885

Formula: - C14 H14 Ca0.92 O8 Sr0.08 -
Comments: Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility Acta Crystallographica Section C 74(2) (2018)
Space group: C 1 2/c 1
Cell volume: 1441.7
Cell parameters: 16.4344; 11.4853; 7.6417; 90; 91.785; 90;

COD ID: 2020886

Formula: - C14 H14 Ca0.83 O8 Sr0.17 -
Comments: Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility Acta Crystallographica Section C 74(2) (2018)
Space group: C 1 2/c 1
Cell volume: 1457.9
Cell parameters: 16.4921; 11.5345; 7.6679; 90; 91.838; 90;

COD ID: 2020887

Formula: - C14 H14 Ca0.69 O8 Sr0.31 -
Comments: Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility Acta Crystallographica Section C 74(2) (2018)
Space group: C 1 2/c 1
Cell volume: 1465.8
Cell parameters: 16.5626; 11.4921; 7.7041; 90; 91.588; 90;

COD ID: 2020888

Formula: - C14 H14 Ca0.47 O8 Sr0.53 -
Comments: Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility Acta Crystallographica Section C 74(2) (2018)
Space group: C 1 2/c 1
Cell volume: 1479.57
Cell parameters: 16.5994; 11.4832; 7.765; 90; 91.555; 90;

COD ID: 2020889

Formula: - C14 H14 Ca0.37 O8 Sr0.63 -
Comments: Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility Acta Crystallographica Section C 74(2) (2018)
Space group: C 1 2/c 1
Cell volume: 1486.05
Cell parameters: 16.6319; 11.4995; 7.7729; 90; 91.599; 90;

COD ID: 2020890

Formula: - C14 H14 Ca0.21 O8 Sr0.79 -
Comments: Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility Acta Crystallographica Section C 74(2) (2018)
Space group: C 1 2/c 1
Cell volume: 1493.9
Cell parameters: 16.665; 11.4816; 7.8105; 90; 91.576; 90;

COD ID: 2020891

Formula: - C14 H14 Ca0.17 O8 Sr0.83 -
Comments: Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility Acta Crystallographica Section C 74(2) (2018)
Space group: C 1 2/c 1
Cell volume: 1501.5
Cell parameters: 16.6693; 11.4865; 7.8446; 90; 91.51; 90;

COD ID: 2020892

Formula: - C14 H14 O8 Sr -
Comments: Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility Acta Crystallographica Section C 74(2) (2018)
Space group: C 1 2/c 1
Cell volume: 1506.37
Cell parameters: 16.7182; 11.4644; 7.8627; 90; 91.66; 90;

COD ID: 2020893

Formula: - C14 H14 Ba0.27 O8 Sr0.73 -
Comments: Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility Acta Crystallographica Section C 74(2) (2018)
Space group: C 1 2/c 1
Cell volume: 1529.04
Cell parameters: 16.8381; 11.4349; 7.9433; 90; 91.28; 90;

COD ID: 2020894

Formula: - C3 H14 N10 O6 -
Comments: Buvaylo, Elena A.; Kokozay, Vladimir N.; Strutynska, Nataliia Yu.; Vassilyeva, Olga Yu.; Skelton, Brian W. Formaldehyde‒aminoguanidine condensation and aminoguanidine self-condensation products: syntheses, crystal structures and characterization Acta Crystallographica Section C 74(2) (2018)
Space group: P c c n
Cell volume: 2341.61
Cell parameters: 12.6989; 13.0236; 14.1585; 90; 90; 90;

COD ID: 2020895

Formula: - C2 H10 Cl4 Cu N6 -
Comments: Buvaylo, Elena A.; Kokozay, Vladimir N.; Strutynska, Nataliia Yu.; Vassilyeva, Olga Yu.; Skelton, Brian W. Formaldehyde‒aminoguanidine condensation and aminoguanidine self-condensation products: syntheses, crystal structures and characterization Acta Crystallographica Section C 74(2) (2018)
Space group: P n n a
Cell volume: 1113.97
Cell parameters: 8.4242; 10.0515; 13.1557; 90; 90; 90;

COD ID: 2020942

Formula: - C12 H10 Cd N6 O6 -
Comments: Meng, Li; Zhu, Miao-Li; Lu, Li-Ping Synthesis, crystal structure and characterization of a three-dimensional Cd^II^ coordination polymer constructed from 2,5-bis(1H-1,2,4-triazol-1-yl)terephthalate Acta Crystallographica Section C 74(2) (2018)
Space group: C 1 2/c 1
Cell volume: 1483.5
Cell parameters: 20.0932; 7.1128; 10.4548; 90; 96.857; 90;

COD ID: 2020943

Formula: - C28 H28 N2 O2 -
Comments: Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher A versatile synthesis of cyclic dipeptides using the stepwise construction of the piperazine-2,5-dione ring from simple precursors: synthetic sequence and the structure of a representative product, (3RS)-4-(2-allyl-3,5-dimethylphenyl)-1-benzyl-3-phenylpiperazine-2,5-dione Acta Crystallographica Section C 74(2) (2018)
Space group: P 1 21/c 1
Cell volume: 4546.5
Cell parameters: 23.3641; 10.0825; 21.4524; 90; 115.885; 90;

COD ID: 2020944

Formula: - C22 H14 N4 -
Comments: Sun, Peili; Zhang, Zongyao; Luo, Hongxia; Zhang, Pu; Qin, Yujun; Guo, Zhi-Xin Synthesis, crystal structure and photophysical properties of 1,4-bis(1,3-diazaazulen-2-yl)benzene: a new π building block Acta Crystallographica Section C 74(2) (2018)
Space group: P 1 21/n 1
Cell volume: 940.19
Cell parameters: 3.761; 13.2538; 18.8657; 90; 91.226; 90;

COD ID: 2020945

Formula: - C42 H35 Ag4 N6 O9.5 S8.5 -
Comments: Dennehy, Mariana; Amo-Ochoa, Pilar; Freire, Eleonora; Suárez, Sebastián; Halac, Emilia; Baggio, Ricardo Structure and electrical properties of a one-dimensional polymeric silver thiosaccharinate complex with argentophilic interactions Acta Crystallographica Section C 74(2) (2018)
Space group: P -1
Cell volume: 2651.24
Cell parameters: 13.771; 13.9822; 14.7181; 81.074; 79.523; 73.152;

COD ID: 2020946

Formula: - C7 H13 N O8 -
Comments: Losev, Evgeniy; Boldyreva, Elena The effect of amino acid backbone length on molecular packing: crystalline tartrates of glycine, β-alanine, γ-aminobutyric acid (GABA) and DL-α-aminobutyric acid (AABA) Acta Crystallographica Section C 74(2) (2018)
Space group: P -1
Cell volume: 479.82
Cell parameters: 4.9216; 8.5949; 12.1187; 108.61; 97.243; 92.752;

COD ID: 2020947

Formula: - C8 H15 N O8 -
Comments: Losev, Evgeniy; Boldyreva, Elena The effect of amino acid backbone length on molecular packing: crystalline tartrates of glycine, β-alanine, γ-aminobutyric acid (GABA) and DL-α-aminobutyric acid (AABA) Acta Crystallographica Section C 74(2) (2018)
Space group: P -1
Cell volume: 533.29
Cell parameters: 4.9336; 10.0324; 11.3232; 103.464; 94.31; 99.766;

COD ID: 2020948

Formula: - C152 H110 Cd5 N14 O30 S10 -
Comments: Ji, Ning-Ning; Shi, Zhi-Qiang; Hu, Hai-Liang A new Cd^II^ coordination polymer with a self-penetrating architecture induced by the molecular conformation of a rigid bithiophene ligand Acta Crystallographica Section C 74(2) (2018)
Space group: P -1
Cell volume: 4206.4
Cell parameters: 14.444; 17.342; 19.351; 68.318; 70.484; 75.994;

COD ID: 2020949

Formula: - C20 H16 Cl N O2 S -
Comments: Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher Synthesis and structures of six closely related N-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order versus disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions Acta Crystallographica Section C 74(2) (2018)
Space group: P 1 21/c 1
Cell volume: 1788.4
Cell parameters: 9.7868; 13.9567; 13.3764; 90; 101.816; 90;

COD ID: 2020950

Formula: - C26 H20 Cl N O2 S -
Comments: Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher Synthesis and structures of six closely related N-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order versus disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions Acta Crystallographica Section C 74(2) (2018)
Space group: P 1 21/c 1
Cell volume: 2234.7
Cell parameters: 10.7264; 9.1208; 22.9103; 90; 94.414; 90;

COD ID: 2020951

Formula: - C20 H15 Br Cl N O2 S -
Comments: Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher Synthesis and structures of six closely related N-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order versus disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions Acta Crystallographica Section C 74(2) (2018)
Space group: C 1 2/c 1
Cell volume: 3802.5
Cell parameters: 18.8096; 11.5021; 19.9112; 90; 118.03; 90;

COD ID: 2020952

Formula: - C20 H15 Cl I N O2 S -
Comments: Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher Synthesis and structures of six closely related N-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order versus disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions Acta Crystallographica Section C 74(2) (2018)
Space group: P 1 21/n 1
Cell volume: 1942.6
Cell parameters: 8.1813; 11.8276; 20.1347; 90; 94.388; 90;

COD ID: 2020953

Formula: - C21 H18 Cl N O3 S -
Comments: Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher Synthesis and structures of six closely related N-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order versus disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions Acta Crystallographica Section C 74(2) (2018)
Space group: P -1
Cell volume: 946.66
Cell parameters: 7.4798; 11.4237; 12.0933; 105.814; 101.959; 99.187;

COD ID: 2020954

Formula: - C20 H14 Cl F2 N O2 S -
Comments: Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher Synthesis and structures of six closely related N-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order versus disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions Acta Crystallographica Section C 74(2) (2018)
Space group: C 1 2/c 1
Cell volume: 7297.5
Cell parameters: 58.0164; 7.8002; 16.1365; 90; 92.105; 90;

COD ID: 2020955

Formula: - C15 H13 N3 O4 -
Comments: Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher Synthesis and structures of six closely related N-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order versus disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions Acta Crystallographica Section C 74(2) (2018)
Space group: P -1
Cell volume: 721.1
Cell parameters: 8.1296; 9.5899; 10.8824; 66.84; 71.533; 71.35;

COD ID: 2020956
CIF file Original IUCr paper	Formula: - Cl H4 Li O2 - Comments: Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang Higher hydrates of lithium chloride, lithium bromide and lithium iodide Acta Crystallographica Section C 74(2) (2018) Space group: P 1 21/c 1 Cell volume: 316.5 Cell parameters: 6.0838; 9.3592; 6.0632; 90; 113.543; 90;

COD ID: 2020957
CIF file Original IUCr paper	Formula: - Br H4 Li O2 - Comments: Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang Higher hydrates of lithium chloride, lithium bromide and lithium iodide Acta Crystallographica Section C 74(2) (2018) Space group: P -1 Cell volume: 177 Cell parameters: 5.3001; 6.397; 6.406; 63.694; 82.044; 65.567;

COD ID: 2020958
CIF file Original IUCr paper	Formula: - H4 I Li O2 - Comments: Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang Higher hydrates of lithium chloride, lithium bromide and lithium iodide Acta Crystallographica Section C 74(2) (2018) Space group: P -1 Cell volume: 211.1 Cell parameters: 5.454; 6.842; 6.97; 61.9; 80.72; 67.02;

COD ID: 2020959
CIF file Original IUCr paper	Formula: - Cl H6 Li O3 - Comments: Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang Higher hydrates of lithium chloride, lithium bromide and lithium iodide Acta Crystallographica Section C 74(2) (2018) Space group: C m c m Cell volume: 415.47 Cell parameters: 7.1626; 10.351; 5.6038; 90; 90; 90;

COD ID: 2020960
CIF file Original IUCr paper	Formula: - Br H6 Li O3 - Comments: Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang Higher hydrates of lithium chloride, lithium bromide and lithium iodide Acta Crystallographica Section C 74(2) (2018) Space group: C m c m Cell volume: 459 Cell parameters: 7.2785; 11.088; 5.687; 90; 90; 90;

COD ID: 2020961
CIF file Original IUCr paper	Formula: - H6 I Li O3 - Comments: Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang Higher hydrates of lithium chloride, lithium bromide and lithium iodide Acta Crystallographica Section C 74(2) (2018) Space group: P 63/m m c Cell volume: 263.17 Cell parameters: 7.461; 7.461; 5.459; 90; 90; 120;

COD ID: 2020962
CIF file Original IUCr paper	Formula: - Cl H10 Li O5 - Comments: Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang Higher hydrates of lithium chloride, lithium bromide and lithium iodide Acta Crystallographica Section C 74(2) (2018) Space group: P -1 Cell volume: 620.2 Cell parameters: 6.247; 9.232; 11.677; 88.34; 77.53; 70.77;

COD ID: 2020963
CIF file Original IUCr paper	Formula: - Br H10 Li O5 - Comments: Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang Higher hydrates of lithium chloride, lithium bromide and lithium iodide Acta Crystallographica Section C 74(2) (2018) Space group: P -1 Cell volume: 664.4 Cell parameters: 6.353; 9.453; 11.954; 89.15; 77.53; 71.69;

COD ID: 2020964

Formula: - C26 H14 Fe2 O6 S2 -
Comments: Mebi, Charles; Gerasimchuk, Nikolay; Labrecque, Jordan Crystal and electronic structure of a hexacarbonyldiiron cluster tethered to naphthalene-2-thiolate ligands Acta Crystallographica Section C 74(2) (2018)
Space group: P -1
Cell volume: 3743.7
Cell parameters: 10.1425; 16.1771; 24.5865; 106.98; 99.453; 96.998;

COD ID: 2020965

Formula: - C27 H24 N2 O2 -
Comments: Han, Shu-Ying; Niu, Xue; Wang, Jia; Jin, Guo-Xia; Liu, Ai; Ma, Jian-Ping Characterization and gas adsorption of a novel three-dimensional metal‒organic framework (MOF) generated from a new polydentate fluorene-bridged ligand Acta Crystallographica Section C 74(2) (2018)
Space group: P b c a
Cell volume: 4209.31
Cell parameters: 18.4485; 11.6452; 19.5931; 90; 90; 90;

COD ID: 2020966

Formula: - C30 H36 N2 Ni O9 S -
Comments: Han, Shu-Ying; Niu, Xue; Wang, Jia; Jin, Guo-Xia; Liu, Ai; Ma, Jian-Ping Characterization and gas adsorption of a novel three-dimensional metal‒organic framework (MOF) generated from a new polydentate fluorene-bridged ligand Acta Crystallographica Section C 74(2) (2018)
Space group: P 1 21/c 1
Cell volume: 2971.48
Cell parameters: 10.281; 23.5073; 12.3557; 90; 95.674; 90;

COD ID: 2020967

Formula: - C20 H23 Cl N4 O5 -
Comments: Faroque, Muhammad Umer; Noureen, Sajida; Ahmed, Maqsood; Tahir, Muhammad Nawaz Electrostatic properties of the pyrimethamine‒2,4-dihydroxybenzoic acid cocrystal in methanol studied using transferred electron-density parameters Acta Crystallographica Section C 74(1) (2018) 100-107
Space group: P -1
Cell volume: 1052.18
Cell parameters: 9.0137; 10.608; 11.8132; 84.941; 85.798; 69.408;

COD ID: 2020968

Formula: - C22 H18 F N O2 S -
Comments: Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher Four closely related N-(3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzamides: order versus disorder, and similar molecular conformations but different modes of supramolecular aggregation, with a new disordered refinement of 2-amino-3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophene Acta Crystallographica Section C 74(1) (2018) 45-53
Space group: P 1 21/c 1
Cell volume: 1837.6
Cell parameters: 15.9489; 7.2739; 15.9222; 90; 95.813; 90;

COD ID: 2020969

Formula: - C22 H18 Cl N O2 S -
Comments: Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher Four closely related N-(3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzamides: order versus disorder, and similar molecular conformations but different modes of supramolecular aggregation, with a new disordered refinement of 2-amino-3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophene Acta Crystallographica Section C 74(1) (2018) 45-53
Space group: P 1 21/n 1
Cell volume: 1930.13
Cell parameters: 11.6776; 14.2461; 12.2957; 90; 109.336; 90;

COD ID: 2020970

Formula: - C22 H17 F2 N O2 S -
Comments: Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher Four closely related N-(3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzamides: order versus disorder, and similar molecular conformations but different modes of supramolecular aggregation, with a new disordered refinement of 2-amino-3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophene Acta Crystallographica Section C 74(1) (2018) 45-53
Space group: P -1
Cell volume: 954.32
Cell parameters: 7.6718; 9.8833; 13.5925; 104.925; 95.476; 103.633;

COD ID: 2020971

Formula: - C23 H21 N O3 S -
Comments: Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher Four closely related N-(3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzamides: order versus disorder, and similar molecular conformations but different modes of supramolecular aggregation, with a new disordered refinement of 2-amino-3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophene Acta Crystallographica Section C 74(1) (2018) 45-53
Space group: P -1
Cell volume: 1935.1
Cell parameters: 8.5129; 12.923; 19.031; 96.811; 102.665; 105.321;

COD ID: 2020972

Formula: - C15 H15 N O S -
Comments: Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher Four closely related N-(3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzamides: order versus disorder, and similar molecular conformations but different modes of supramolecular aggregation, with a new disordered refinement of 2-amino-3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophene Acta Crystallographica Section C 74(1) (2018) 45-53
Space group: P n a 21
Cell volume: 1343.08
Cell parameters: 9.208; 14.0485; 10.3826; 90; 90; 90;

COD ID: 2020973
CIF file HKL data	Formula: - C13 H18 N10 O S - Comments: Hützler, Wilhelm Maximilian; Bolte, Michael Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine Acta Crystallographica Section C 74(1) (2018) 21-30 Space group: P -1 Cell volume: 844.3 Cell parameters: 7.7255; 9.1381; 12.4594; 92.241; 104.034; 97.248;

COD ID: 2020974
CIF file HKL data	Formula: - C21 H31 N13 O3 S2 - Comments: Hützler, Wilhelm Maximilian; Bolte, Michael Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine Acta Crystallographica Section C 74(1) (2018) 21-30 Space group: C 1 c 1 Cell volume: 2657.3 Cell parameters: 10.0743; 14.383; 18.647; 90; 100.427; 90;

COD ID: 2020975
CIF file HKL data	Formula: - C15.5 H18.5 N7.5 O1.5 S - Comments: Hützler, Wilhelm Maximilian; Bolte, Michael Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine Acta Crystallographica Section C 74(1) (2018) 21-30 Space group: P 1 21/n 1 Cell volume: 3568.5 Cell parameters: 11.1237; 19.5259; 16.7313; 90; 100.9; 90;

COD ID: 2020976
CIF file HKL data	Formula: - C21 H31 N13 O5 S2 - Comments: Hützler, Wilhelm Maximilian; Bolte, Michael Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine Acta Crystallographica Section C 74(1) (2018) 21-30 Space group: C 1 2/c 1 Cell volume: 2845.1 Cell parameters: 22.573; 9.1593; 13.9211; 90; 98.701; 90;

COD ID: 2020977
CIF file HKL data	Formula: - C22 H33 N13 O5 S2 - Comments: Hützler, Wilhelm Maximilian; Bolte, Michael Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine Acta Crystallographica Section C 74(1) (2018) 21-30 Space group: C 1 2/c 1 Cell volume: 2858.7 Cell parameters: 23.53; 8.7478; 14.2006; 90; 102.037; 90;

COD ID: 2020978
CIF file HKL data	Formula: - C21 H30 N18 O3 S3 - Comments: Hützler, Wilhelm Maximilian; Bolte, Michael Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine Acta Crystallographica Section C 74(1) (2018) 21-30 Space group: R -3 Cell volume: 4466 Cell parameters: 17.6827; 17.6827; 16.4925; 90; 90; 120;

COD ID: 2020979

Formula: - C28 H44 N2 -
Comments: Dolinar, Brian S.; Samedov, Kerim; Maloney, Andrew G. P.; West, Robert; Khrustalev, Victor N.; Guzei, Ilia A. A chiral diamine: practical implications of a three-stereoisomer cocrystallization Acta Crystallographica Section C 74(1) (2018) 54-61
Space group: P 1 21/n 1
Cell volume: 3763
Cell parameters: 12.992; 12.399; 23.385; 90; 92.81; 90;

COD ID: 2020980

Formula: - C51 H42 Cu3 F6 I2 N3 P4 -
Comments: Zhu, Qiu-Meng; Song, Li; Chai, Wen-Xiang; Shen, Hang-Yan; Wei, Qin-Hua; Qin, Lai-Shun A novel luminescent ionic trinuclear Cu~3~I~2~ cluster cuprous complex supported by a P^N ligand: synthesis, structure characterization, properties and TD‒DFT calculations Acta Crystallographica Section C 74(1) (2018) 62-68
Space group: P 1 21/n 1
Cell volume: 5078.8
Cell parameters: 18.931; 12.4391; 21.78; 90; 98.012; 90;

COD ID: 2020981

Formula: - C16 H14 N2 O4 S -
Comments: Sevinçek, Resul; Barut Celepci, Duygu; Köktaş Koca, Serap; Akgül, Özlem; Aygün, Muittin Substituent position effect on the crystal structures of N-phenyl-2-phthalimidoethanesulfonamide derivatives Acta Crystallographica Section C 74(1) (2018) 31-36
Space group: P -1
Cell volume: 760.07
Cell parameters: 6.9783; 9.7631; 11.8912; 78.365; 74.458; 81.063;

COD ID: 2020982

Formula: - C16 H13 N3 O6 S -
Comments: Sevinçek, Resul; Barut Celepci, Duygu; Köktaş Koca, Serap; Akgül, Özlem; Aygün, Muittin Substituent position effect on the crystal structures of N-phenyl-2-phthalimidoethanesulfonamide derivatives Acta Crystallographica Section C 74(1) (2018) 31-36
Space group: P -1
Cell volume: 812.14
Cell parameters: 7.1547; 10.4322; 11.8228; 100.106; 104.043; 102.278;

COD ID: 2020983

Formula: - C17 H16 N2 O5 S -
Comments: Sevinçek, Resul; Barut Celepci, Duygu; Köktaş Koca, Serap; Akgül, Özlem; Aygün, Muittin Substituent position effect on the crystal structures of N-phenyl-2-phthalimidoethanesulfonamide derivatives Acta Crystallographica Section C 74(1) (2018) 31-36
Space group: P 1 21/n 1
Cell volume: 1657.5
Cell parameters: 10.9408; 7.2555; 21.1923; 90; 99.838; 90;

COD ID: 2020984

Formula: - C18 H20 N2 O5 S -
Comments: Sevinçek, Resul; Barut Celepci, Duygu; Köktaş Koca, Serap; Akgül, Özlem; Aygün, Muittin Substituent position effect on the crystal structures of N-phenyl-2-phthalimidoethanesulfonamide derivatives Acta Crystallographica Section C 74(1) (2018) 31-36
Space group: P 1 21/c 1
Cell volume: 1778.6
Cell parameters: 15.356; 7.4014; 25.061; 90; 141.36; 90;

COD ID: 2020985

Formula: - C30 H38 N10 O5 Zn -
Comments: Liu, Yaru; Liu, Lan; Zhang, Xiao; Liang, Guorui; Gong, Xuebing Two zinc(II) coordination complexes based on an asymmetric multidentate ligand: syntheses, structures, selective fluorescence sensing of iron(III) ions and thermal analyses Acta Crystallographica Section C 74(1) (2018) 13-20
Space group: P -1
Cell volume: 1616.51
Cell parameters: 8.7481; 11.9399; 16.4168; 84.921; 88.623; 71.161;

COD ID: 2020986

Formula: - C26 H30 N16 Zn -
Comments: Liu, Yaru; Liu, Lan; Zhang, Xiao; Liang, Guorui; Gong, Xuebing Two zinc(II) coordination complexes based on an asymmetric multidentate ligand: syntheses, structures, selective fluorescence sensing of iron(III) ions and thermal analyses Acta Crystallographica Section C 74(1) (2018) 13-20
Space group: P -1
Cell volume: 1455.62
Cell parameters: 7.087; 13.7109; 15.2483; 84.36; 83.99; 82.531;

COD ID: 2020987

Formula: - C6 H11 N O5 S -
Comments: Langenstück, Stefanie; Zhao, Chenchen; Englert, Ulli The ephemeral dihydrate of sulfanilic acid Acta Crystallographica Section C 74(1) (2018) 7-12
Space group: P 1 21/n 1
Cell volume: 851.71
Cell parameters: 11.3338; 5.765; 13.9048; 90; 110.371; 90;

COD ID: 2020988

Formula: - C30 H38 N6 O10 S4 -
Comments: Som, Bozumeh; Shue, Jessica R.; Smith, Mark D.; Shimizu, Linda S. Temperature-induced pseudopolymorphism of molecular salts from a pyridyl bis-urea macrocycle and naphthalene-1,5-disulfonic acid Acta Crystallographica Section C 74(1) (2018) 75-81
Space group: P -1
Cell volume: 825.08
Cell parameters: 8.5763; 9.7305; 11.4194; 111.379; 108.656; 93.04;

COD ID: 2020989

Formula: - C28 H32 N6 O9 S3 -
Comments: Som, Bozumeh; Shue, Jessica R.; Smith, Mark D.; Shimizu, Linda S. Temperature-induced pseudopolymorphism of molecular salts from a pyridyl bis-urea macrocycle and naphthalene-1,5-disulfonic acid Acta Crystallographica Section C 74(1) (2018) 75-81
Space group: P 1 21/n 1
Cell volume: 2994
Cell parameters: 8.9076; 25.5878; 13.6411; 90; 105.644; 90;

COD ID: 2020990

Formula: - C16 H16 Cl N3 -
Comments: Macías, Mario A.; Castillo, Juan-Carlos; Portilla, Jaime A series of (E)-5-(arylideneamino)-1-tert-butyl-1H-pyrrole-3-carbonitriles and their reduction products to secondary amines: syntheses and X-ray structural studies Acta Crystallographica Section C 74(1) (2018) 82-93
Space group: P b c m
Cell volume: 1493.6
Cell parameters: 8.8317; 24.261; 6.9706; 90; 90; 90;

COD ID: 2020991

Formula: - C16 H15 Cl2 N3 -
Comments: Macías, Mario A.; Castillo, Juan-Carlos; Portilla, Jaime A series of (E)-5-(arylideneamino)-1-tert-butyl-1H-pyrrole-3-carbonitriles and their reduction products to secondary amines: syntheses and X-ray structural studies Acta Crystallographica Section C 74(1) (2018) 82-93
Space group: P 1 21/c 1
Cell volume: 1581.6
Cell parameters: 6.5428; 7.9586; 30.415; 90; 92.987; 90;

COD ID: 2020992

Formula: - C15 H16 N4 -
Comments: Macías, Mario A.; Castillo, Juan-Carlos; Portilla, Jaime A series of (E)-5-(arylideneamino)-1-tert-butyl-1H-pyrrole-3-carbonitriles and their reduction products to secondary amines: syntheses and X-ray structural studies Acta Crystallographica Section C 74(1) (2018) 82-93
Space group: P -1
Cell volume: 688.61
Cell parameters: 8.1494; 9.0629; 9.4859; 92.465; 97.113; 97.136;

COD ID: 2020993

Formula: - C16 H18 Cl N3 -
Comments: Macías, Mario A.; Castillo, Juan-Carlos; Portilla, Jaime A series of (E)-5-(arylideneamino)-1-tert-butyl-1H-pyrrole-3-carbonitriles and their reduction products to secondary amines: syntheses and X-ray structural studies Acta Crystallographica Section C 74(1) (2018) 82-93
Space group: P 1 21/c 1
Cell volume: 1552.6
Cell parameters: 8.2422; 9.2361; 20.623; 90; 98.521; 90;

COD ID: 2020994

Formula: - C16 H17 Cl2 N3 -
Comments: Macías, Mario A.; Castillo, Juan-Carlos; Portilla, Jaime A series of (E)-5-(arylideneamino)-1-tert-butyl-1H-pyrrole-3-carbonitriles and their reduction products to secondary amines: syntheses and X-ray structural studies Acta Crystallographica Section C 74(1) (2018) 82-93
Space group: P -1
Cell volume: 811
Cell parameters: 8.97; 9.3244; 10.4645; 105.057; 103.589; 95.078;

COD ID: 2020995

Formula: - C5 H6 Cl N5 O -
Comments: Budniak, Urszula Anna; Dominiak, Paulina Maria Molecular tapes in the structure of isoguaninium chloride Acta Crystallographica Section C 74(1) (2018) 108-112
Space group: P 1 21/c 1
Cell volume: 1478.68
Cell parameters: 14.0359; 13.693; 7.7026; 90; 92.754; 90;

COD ID: 2020996

Formula: - C56 H36 Cd Cl14 N8 O16 -
Comments: Liu, Jian-Jun; Dong, Ying; Chen, Li-Zhen; Wang, Ling; Xia, Shu-Biao; Huang, Chang-Cang A two-dimensional Cd^II^ coordination polymer based on naphthalenediimide: synthesis, crystal structure and photochromic properties Acta Crystallographica Section C 74(1) (2018) 94-99
Space group: P 1 21 1
Cell volume: 3280.3
Cell parameters: 13.8485; 15.0536; 16.6819; 90; 109.395; 90;

COD ID: 2020998

Formula: - C30 H22 Ca N2 O4 -
Comments: Bendjellal, Nassima; Trifa, Chahrazed; Bouacida, Sofiane; Boudaren, Chaouki; Boudraa, Mhamed; Merazig, Hocine Two novel alkaline earth coordination polymers constructed from cinnamic acid and 1,10-phenanthroline: synthesis and structural and thermal properties Acta Crystallographica Section C 74(2) (2018)
Space group: P b c n
Cell volume: 2418.03
Cell parameters: 27.0933; 11.2988; 7.8989; 90; 90; 90;

COD ID: 2020999

Formula: - C30 H22 Ba N2 O4 -
Comments: Bendjellal, Nassima; Trifa, Chahrazed; Bouacida, Sofiane; Boudaren, Chaouki; Boudraa, Mhamed; Merazig, Hocine Two novel alkaline earth coordination polymers constructed from cinnamic acid and 1,10-phenanthroline: synthesis and structural and thermal properties Acta Crystallographica Section C 74(2) (2018)
Space group: R -3 :H
Cell volume: 11915.5
Cell parameters: 36.4542; 36.4542; 10.3535; 90; 90; 120;

COD ID: 2021000

Formula: - F12 Hf2 Sr2 -
Comments: Laval, Jean-Paul; Mayet, Richard High-temperature monoclinic α-SrHfF~6~, and isostructural α-SrZrF~6~: associating Hf~2~F~12~ bipolyhedra and SrF~8~ snub disphenoids Acta Crystallographica Section C 74(2) (2018)
Space group: P 1 21/c 1
Cell volume: 509.96
Cell parameters: 5.9762; 5.9949; 14.426; 90; 99.36; 90;

COD ID: 2021002

Formula: - C13 H15 Cu N3 O8 -
Comments: Klongdee, Fatima; Boonmak, Jaursup; Youngme, Sujittra Effect of pH on the charge-assisted hydrogen-bonded assembly of the anionic [Cu(oxalate)~2~]^2{-^} building unit and N,N'-ditopic cations Acta Crystallographica Section C 74(3) (2018)
Space group: P 1 21/c 1
Cell volume: 1440.95
Cell parameters: 10.8492; 14.2931; 9.8604; 90; 109.543; 90;

COD ID: 2021003

Formula: - C16 H14 Cu N2 O8 -
Comments: Klongdee, Fatima; Boonmak, Jaursup; Youngme, Sujittra Effect of pH on the charge-assisted hydrogen-bonded assembly of the anionic [Cu(oxalate)~2~]^2{-^} building unit and N,N'-ditopic cations Acta Crystallographica Section C 74(3) (2018)
Space group: P -1
Cell volume: 385.85
Cell parameters: 3.8486; 10.238; 10.608; 109.382; 95.641; 97.93;

COD ID: 2021004

Formula: - Bi8.27 Ca11 In1.73 -
Comments: Ovchinnikov, Alexander; Bobev, Svilen On the effect of Ga and In substitutions in the Ca~11~Bi~10~ and Yb~11~Bi~10~ bismuthides crystallizing in the tetragonal Ho~11~Ge~10~ structure type Acta Crystallographica Section C 74(3) (2018)
Space group: I 4/m m m
Cell volume: 2660.4
Cell parameters: 12.3534; 12.3534; 17.433; 90; 90; 90;

COD ID: 2021005

Formula: - C18 H26.48 N2 O9.24 -
Comments: Veselovsky, Vladimir V.; Lozanova, Antonina V.; Isaeva, Vera I.; Lobova, Anna A.; Fitch, Andrew N.; Chernyshev, Vladimir V. Optically active derivatives of terephthalic acid: four crystal structures from two powder patterns Acta Crystallographica Section C Structural Chemistry 74(3) (2018)
Space group: C 2 2 21
Cell volume: 4376.1
Cell parameters: 16.3993; 12.5755; 21.2196; 90; 90; 90;

COD ID: 2021006

Formula: - C18 H26.16 N2 O9.08 -
Comments: Veselovsky, Vladimir V.; Lozanova, Antonina V.; Isaeva, Vera I.; Lobova, Anna A.; Fitch, Andrew N.; Chernyshev, Vladimir V. Optically active derivatives of terephthalic acid: four crystal structures from two powder patterns Acta Crystallographica Section C Structural Chemistry 74(3) (2018)
Space group: P 2 2 21
Cell volume: 4345.8
Cell parameters: 16.4332; 12.3817; 21.3581; 90; 90; 90;

COD ID: 2021007

Formula: - C13 H14 N2 O5 -
Comments: Veselovsky, Vladimir V.; Lozanova, Antonina V.; Isaeva, Vera I.; Lobova, Anna A.; Fitch, Andrew N.; Chernyshev, Vladimir V. Optically active derivatives of terephthalic acid: four crystal structures from two powder patterns Acta Crystallographica Section C Structural Chemistry 74(3) (2018)
Space group: C 2 2 21
Cell volume: 2499.7
Cell parameters: 7.622; 18.818; 17.4277; 90; 90; 90;

COD ID: 2021008

Formula: - C13 H14 N2 O5 -
Comments: Veselovsky, Vladimir V.; Lozanova, Antonina V.; Isaeva, Vera I.; Lobova, Anna A.; Fitch, Andrew N.; Chernyshev, Vladimir V. Optically active derivatives of terephthalic acid: four crystal structures from two powder patterns Acta Crystallographica Section C Structural Chemistry 74(3) (2018)
Space group: P 21 21 21
Cell volume: 1203.6
Cell parameters: 17.4407; 9.7795; 7.0567; 90; 90; 90;

COD ID: 2021009

Formula: - C12 H16 O5 -
Comments: Nestler, Robert; Schwarzer, Anke; Gruber, Tobias Different supramolecular interactions mediated by Br atoms in the crystal structures of three anisole derivatives Acta Crystallographica Section C 74(3) (2018)
Space group: P -1
Cell volume: 588.15
Cell parameters: 7.8601; 8.2489; 10.7883; 81.538; 72.352; 61.93;

COD ID: 2021010

Formula: - C9 H11 Br O3 -
Comments: Nestler, Robert; Schwarzer, Anke; Gruber, Tobias Different supramolecular interactions mediated by Br atoms in the crystal structures of three anisole derivatives Acta Crystallographica Section C 74(3) (2018)
Space group: P n a 21
Cell volume: 956.71
Cell parameters: 13.1596; 16.2514; 4.4735; 90; 90; 90;

COD ID: 2021011

Formula: - C9 H9 Br3 O -
Comments: Nestler, Robert; Schwarzer, Anke; Gruber, Tobias Different supramolecular interactions mediated by Br atoms in the crystal structures of three anisole derivatives Acta Crystallographica Section C 74(3) (2018)
Space group: C 1 2/c 1
Cell volume: 2192.8
Cell parameters: 33.315; 4.3913; 15.9655; 90; 110.142; 90;

COD ID: 2021012

Formula: - Au1.23 In0.93 Pd1.84 -
Comments: Ptashkina, Evgeniya A.; Kabanova, Elizaveta G.; Tursina, Anna I.; Yatsenko, Alexandr V.; Kuznetsov, Victor N. Synthesis and crystal structure of a new Cu~3~Au-type ternary phase in the Au‒In‒Pd system: distribution of atoms over crystallographic positions Acta Crystallographica Section C 74(3) (2018)
Space group: P m -3 m
Cell volume: 65.646
Cell parameters: 4.034; 4.034; 4.034; 90; 90; 90;

COD ID: 2021013

COD ID: 2021014

Formula: - Au1.49 In0.89 Pd1.62 -
Comments: Ptashkina, Evgeniya A.; Kabanova, Elizaveta G.; Tursina, Anna I.; Yatsenko, Alexandr V.; Kuznetsov, Victor N. Synthesis and crystal structure of a new Cu~3~Au-type ternary phase in the Au‒In‒Pd system: distribution of atoms over crystallographic positions Acta Crystallographica Section C 74(3) (2018)
Space group: P m -3 m
Cell volume: 65.98
Cell parameters: 4.0408; 4.0408; 4.0408; 90; 90; 90;

COD ID: 2021015

COD ID: 2021016

Formula: - Au1.77 In0.86 Pd1.37 -
Comments: Ptashkina, Evgeniya A.; Kabanova, Elizaveta G.; Tursina, Anna I.; Yatsenko, Alexandr V.; Kuznetsov, Victor N. Synthesis and crystal structure of a new Cu~3~Au-type ternary phase in the Au‒In‒Pd system: distribution of atoms over crystallographic positions Acta Crystallographica Section C 74(3) (2018)
Space group: P m -3 m
Cell volume: 66.62
Cell parameters: 4.0538; 4.0538; 4.0538; 90; 90; 90;

COD ID: 2021017

COD ID: 2021018

Formula: - C64 H77 N3 O14 -
Comments: Gonçalves, Karolina de Oliveira; Ribeiro, Leandro; de Oliveira, Cecilia Maria Alves; Carvalho, Jesiel Freitas; Martins, Felipe T. New solvates of the drug naltrexone: protonation, conformation and interplay of synthons Acta Crystallographica Section C 74(3) (2018)
Space group: P 21 21 21
Cell volume: 5764.6
Cell parameters: 13.0034; 14.0829; 31.479; 90; 90; 90;

COD ID: 2021019

Formula: - C44 H56 N2 O9 -
Comments: Gonçalves, Karolina de Oliveira; Ribeiro, Leandro; de Oliveira, Cecilia Maria Alves; Carvalho, Jesiel Freitas; Martins, Felipe T. New solvates of the drug naltrexone: protonation, conformation and interplay of synthons Acta Crystallographica Section C 74(3) (2018)
Space group: P 21 21 21
Cell volume: 4403.11
Cell parameters: 12.5992; 13.1093; 26.6586; 90; 90; 90;

COD ID: 2021020

Formula: - C17 H17 Cl O6 -
Comments: Mahieu, Aurélien; Willart, Jean-François; Guerain, Mathieu; Derollez, Patrick; Danéde, Florence; Descamps, Marc Structure determination of phase II of the antifungal drug griseofulvin by powder X-ray diffraction Acta Crystallographica Section C 74(3) (2018)
Space group: P 21 21 21
Cell volume: 3427.38
Cell parameters: 11.7625; 12.00313; 24.2755; 90; 90; 90;

COD ID: 2021021

Formula: - C10 H11 Cl N4 O4 -
Comments: Swinton Darious, Robert; Jasmine, Nithianantham Jeeva; Karthikeyan, Ammasai; Thomas Muthiah, Packianathan; Perdih, Franc Supramolecular architectures in cytosinium 6-chloronicotinate monohydrate and 5-bromo-6-methylisocytosinium hydrogen sulfate Acta Crystallographica Section C 74(3) (2018)
Space group: P c c n
Cell volume: 2437.5
Cell parameters: 19.5314; 12.7103; 9.8189; 90; 90; 90;

COD ID: 2021022

Formula: - C5 H8 Br N3 O5 S -
Comments: Swinton Darious, Robert; Jasmine, Nithianantham Jeeva; Karthikeyan, Ammasai; Thomas Muthiah, Packianathan; Perdih, Franc Supramolecular architectures in cytosinium 6-chloronicotinate monohydrate and 5-bromo-6-methylisocytosinium hydrogen sulfate Acta Crystallographica Section C 74(3) (2018)
Space group: P 1 21/c 1
Cell volume: 948.01
Cell parameters: 16.1671; 4.8786; 12.0863; 90; 96.026; 90;

COD ID: 2021023

Formula: - C22 H24 N4 -
Comments: Acosta Quintero, Lina M.; Burgos, Isidro; Palma, Alirio; Cobo, Justo; Glidewell, Christopher A concise, efficient and versatile synthesis of amino-substituted benzo[b]pyrimido[5,4-f]azepines: synthesis and spectroscopic characterization, together with the molecular and supramolecular structures of three products and one intermediate Acta Crystallographica Section C 74(3) (2018)
Space group: P b c a
Cell volume: 3693.2
Cell parameters: 11.202; 16.609; 19.85; 90; 90; 90;

COD ID: 2021024

Formula: - C22 H21 N5 -
Comments: Acosta Quintero, Lina M.; Burgos, Isidro; Palma, Alirio; Cobo, Justo; Glidewell, Christopher A concise, efficient and versatile synthesis of amino-substituted benzo[b]pyrimido[5,4-f]azepines: synthesis and spectroscopic characterization, together with the molecular and supramolecular structures of three products and one intermediate Acta Crystallographica Section C 74(3) (2018)
Space group: P 1 21/c 1
Cell volume: 1791.7
Cell parameters: 9.425; 11.184; 17.321; 90; 101.091; 90;

COD ID: 2021025

Formula: - C21 H19.748 N5 O0.374 -
Comments: Acosta Quintero, Lina M.; Burgos, Isidro; Palma, Alirio; Cobo, Justo; Glidewell, Christopher A concise, efficient and versatile synthesis of amino-substituted benzo[b]pyrimido[5,4-f]azepines: synthesis and spectroscopic characterization, together with the molecular and supramolecular structures of three products and one intermediate Acta Crystallographica Section C 74(3) (2018)
Space group: P 1 21/c 1
Cell volume: 1684.83
Cell parameters: 11.1086; 8.7806; 17.7753; 90; 103.651; 90;

COD ID: 2021026

Formula: - C24 H25 N5 -
Comments: Acosta Quintero, Lina M.; Burgos, Isidro; Palma, Alirio; Cobo, Justo; Glidewell, Christopher A concise, efficient and versatile synthesis of amino-substituted benzo[b]pyrimido[5,4-f]azepines: synthesis and spectroscopic characterization, together with the molecular and supramolecular structures of three products and one intermediate Acta Crystallographica Section C 74(3) (2018)
Space group: P -1
Cell volume: 993.4
Cell parameters: 9.7866; 10.2122; 10.9551; 97.816; 112.433; 94.149;

COD ID: 2021027

Formula: - Cl4 Zr -
Comments: Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic Zirconium tetrachloride revisited Acta Crystallographica Section C 74(3) (2018)
Space group: P c a 21
Cell volume: 543.25
Cell parameters: 6.2199; 7.3301; 11.9153; 90; 90; 90;

COD ID: 2021028

Formula: - Cl4 Zr -
Comments: Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic Zirconium tetrachloride revisited Acta Crystallographica Section C 74(3) (2018)
Space group: P c a 21
Cell volume: 547.1
Cell parameters: 6.2311; 7.3497; 11.9462; 90; 90; 90;

COD ID: 2021029

Formula: - Cl4 Zr -
Comments: Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic Zirconium tetrachloride revisited Acta Crystallographica Section C 74(3) (2018)
Space group: P c a 21
Cell volume: 550.3
Cell parameters: 6.2389; 7.3667; 11.9735; 90; 90; 90;

COD ID: 2021030

Formula: - Cl4 Zr -
Comments: Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic Zirconium tetrachloride revisited Acta Crystallographica Section C 74(3) (2018)
Space group: P c a 21
Cell volume: 554.8
Cell parameters: 6.253; 7.383; 12.017; 90; 90; 90;

COD ID: 2021031

Formula: - Cl4 Zr -
Comments: Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic Zirconium tetrachloride revisited Acta Crystallographica Section C 74(3) (2018)
Space group: P c a 21
Cell volume: 558
Cell parameters: 6.262; 7.402; 12.039; 90; 90; 90;

COD ID: 2021032

Formula: - C34 H52 Cu N14 O14 S2 -
Comments: Li, Peng-Cheng; Zhang, Kou-Lin A new copper(II) supramolecular coordination polymer and a dinuclear compound with multifunctional 2-amino-5-sulfobenzoic acid and flexible N-donor ligands: synthesis, structure and characterization Acta Crystallographica Section C 74(3) (2018)
Space group: P b a 2
Cell volume: 2346.6
Cell parameters: 13.711; 19.1598; 8.9327; 90; 90; 90;

COD ID: 2021033

Formula: - C42 H48 Cu2 N10 O15 S2 -
Comments: Li, Peng-Cheng; Zhang, Kou-Lin A new copper(II) supramolecular coordination polymer and a dinuclear compound with multifunctional 2-amino-5-sulfobenzoic acid and flexible N-donor ligands: synthesis, structure and characterization Acta Crystallographica Section C 74(3) (2018)
Space group: P 1 21/c 1
Cell volume: 4612.6
Cell parameters: 18.787; 12.0409; 20.699; 90; 99.905; 90;

COD ID: 2021034

Formula: - C36 H30 I2 P2 Zn -
Comments: Chen, Di; Wang, Qiu-Hua; Chai, Wen-Xiang; Song, Li Three zinc iodide complexes based on phosphane ligands: syntheses, structures, optical properties and TD‒DFT calculations Acta Crystallographica Section C 74(3) (2018)
Space group: P 1 21/c 1
Cell volume: 3335.4
Cell parameters: 19.3126; 10.2713; 18.1414; 90; 112.052; 90;

COD ID: 2021035

Formula: - C42 H42 I2 P2 Zn -
Comments: Chen, Di; Wang, Qiu-Hua; Chai, Wen-Xiang; Song, Li Three zinc iodide complexes based on phosphane ligands: syntheses, structures, optical properties and TD‒DFT calculations Acta Crystallographica Section C 74(3) (2018)
Space group: F 2 d d
Cell volume: 8289.3
Cell parameters: 11.3104; 19.3208; 37.933; 90; 90; 90;

COD ID: 2021036

Formula: - C75 H66 I4 O6 P6 Zn2 -
Comments: Chen, Di; Wang, Qiu-Hua; Chai, Wen-Xiang; Song, Li Three zinc iodide complexes based on phosphane ligands: syntheses, structures, optical properties and TD‒DFT calculations Acta Crystallographica Section C 74(3) (2018)
Space group: P 1 21/c 1
Cell volume: 7560.6
Cell parameters: 18.982; 15.9507; 24.9714; 90; 90.352; 90;

COD ID: 2021037

Formula: - C38 H26 N10 Ni O4 S -
Comments: Harvey, Miguel Angel; Suarez, Sebastián; Zolotarev, Pavel N.; Proserpio, Davide M.; Baggio, Ricardo Topological study of diverse hydrogen-bonded patterns found in a system of a nickel(II) complex and the sulfate anion Acta Crystallographica Section C 74(3) (2018)
Space group: P 21 21 21
Cell volume: 4457.7
Cell parameters: 9.8015; 20.9572; 21.7012; 90; 90; 90;

COD ID: 2021038

Formula: - C38 H26 N10 Ni O4 S -
Comments: Harvey, Miguel Angel; Suarez, Sebastián; Zolotarev, Pavel N.; Proserpio, Davide M.; Baggio, Ricardo Topological study of diverse hydrogen-bonded patterns found in a system of a nickel(II) complex and the sulfate anion Acta Crystallographica Section C 74(3) (2018)
Space group: I -4
Cell volume: 11075.2
Cell parameters: 28.596; 28.596; 13.5438; 90; 90; 90;

COD ID: 2021039

Formula: - C41 H41.5 N11 Ni O9.25 S -
Comments: Harvey, Miguel Angel; Suarez, Sebastián; Zolotarev, Pavel N.; Proserpio, Davide M.; Baggio, Ricardo Topological study of diverse hydrogen-bonded patterns found in a system of a nickel(II) complex and the sulfate anion Acta Crystallographica Section C 74(3) (2018)
Space group: P c c n
Cell volume: 9183
Cell parameters: 13.406; 24.365; 28.114; 90; 90; 90;

COD ID: 2021040

Formula: - C8 H4 Cl N O3 -
Comments: Pogoda, Dorota; Matera-Witkiewicz, Agnieszka; Listowski, Marcin; Janczak, Jan; Videnova-Adrabinska, Veneta The role of different nonspecific interactions and halogen contacts in the crystal structure organization of 5-chloroisatoic anhydride Acta Crystallographica Section C 74(3) (2018)
Space group: P n a 21
Cell volume: 752.4
Cell parameters: 24.3852; 6.0502; 5.1; 90; 90; 90;

COD ID: 2021041

Formula: - C0.86 Al0.24 Li0.24 Mg1.52 -
Comments: Pavlyuk, Volodymyr; Kulawik, Damian; Ciesielski, Wojciech; Pavlyuk, Nazar; Dmytriv, Grygoriy New quaternary carbide Mg~1.52~Li~0.24~Al~0.24~C~0.86~ as a disorder derivative of the family of hexagonal close-packed (hcp) structures and the effect of structure modification on the electrochemical behaviour of the electrode Acta Crystallographica Section C 74(3) (2018)
Space group: P -6 m 2
Cell volume: 45.977
Cell parameters: 3.197; 3.197; 5.1943; 90; 90; 120;

COD ID: 2021042

Formula: - C20 H16 N2 O16 S2 U2 -
Comments: Cui, Wen; Wang, Ruyu; Shu, Xi; Fan, Yu; Liu, Yang; Jin, Yongdong; Xia, Chuanqin; Huang, Chao Hydrothermal synthesis, crystal structure and properties of a two-dimensional uranyl coordination polymer based on a flexible zwitterionic ligand Acta Crystallographica Section C 74(3) (2018)
Space group: P -1
Cell volume: 714.7
Cell parameters: 6.9406; 8.5527; 12.7193; 108.581; 90.93; 92.396;

COD ID: 2021043

Formula: - C56 H78 N4 O37 Tb4 -
Comments: Hao, Hongguo; Wang, Yuchen; Yuan, Suxian; Li, Dacheng; Sun, Junshan Two novel lanthanide(III) organic frameworks based on a biphenyltetracarboxylate ligand: synthesis, structure and magnetic and luminescence properties Acta Crystallographica Section C 74(3) (2018)
Space group: P 1 21/n 1
Cell volume: 1862.9
Cell parameters: 9.3676; 17.6232; 11.3172; 90; 94.351; 90;

COD ID: 2021044

Formula: - C56 H76 Eu4 N4 O36 -
Comments: Hao, Hongguo; Wang, Yuchen; Yuan, Suxian; Li, Dacheng; Sun, Junshan Two novel lanthanide(III) organic frameworks based on a biphenyltetracarboxylate ligand: synthesis, structure and magnetic and luminescence properties Acta Crystallographica Section C 74(3) (2018)
Space group: P 1 21/n 1
Cell volume: 1888.9
Cell parameters: 9.4453; 17.7439; 11.3019; 90; 94.278; 90;

COD ID: 2021045

Formula: - C12 H15 N5 O3 -
Comments: Wang, Xiaojuan; Xu, Hai-Jiang; Jia, Xue-Dong; Yang, Yan-Tao; Zhang, Xiao-Jian Crystal structure and Hirshfeld surface analysis of the anhydrous form of the nucleoside analogue entecavir Acta Crystallographica Section C 74(3) (2018)
Space group: P 43 21 2
Cell volume: 2520
Cell parameters: 7.559; 7.559; 44.103; 90; 90; 90;

COD ID: 2021046

Formula: - C11 H15 N5 S -
Comments: Szczesio, Małgorzata; Gołka, Jolanta; Korona-Głowniak, Izabela; Orlewska, Czesława; Gobis, Katarzyna; Olczak, Andrzej Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity: structure‒activity relationships Acta Crystallographica Section C 74(3) (2018)
Space group: P 1 21/n 1
Cell volume: 1221.31
Cell parameters: 11.4343; 7.7435; 14.5125; 90; 108.109; 90;

COD ID: 2021047

Formula: - C8 H10 N4 S2 -
Comments: Szczesio, Małgorzata; Gołka, Jolanta; Korona-Głowniak, Izabela; Orlewska, Czesława; Gobis, Katarzyna; Olczak, Andrzej Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity: structure‒activity relationships Acta Crystallographica Section C 74(3) (2018)
Space group: P 1 21/n 1
Cell volume: 1041.8
Cell parameters: 7.2793; 19.962; 7.4299; 90; 105.205; 90;

COD ID: 2021048

Formula: - C9 H12 N4 S2 -
Comments: Szczesio, Małgorzata; Gołka, Jolanta; Korona-Głowniak, Izabela; Orlewska, Czesława; Gobis, Katarzyna; Olczak, Andrzej Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity: structure‒activity relationships Acta Crystallographica Section C 74(3) (2018)
Space group: P -1
Cell volume: 586.21
Cell parameters: 7.323; 8.5983; 10.0343; 79.167; 71.019; 84.08;

COD ID: 2021049

Formula: - C6 H8 N4 -
Comments: Kassim, Muhammad Arif; Yassin, Ubaidullah H. M.; Tan, Ai Ling; Usman, Anwar; Hamid, Malai Haniti S. A. [1-(Pyrazin-2-yl)ethylidene]hydrazine: a new multitopic ligand for the design of hybrid molecular frameworks Acta Crystallographica Section C 74(4) (2018)
Space group: P 1 21/c 1
Cell volume: 660.97
Cell parameters: 6.9312; 14.6542; 7.1239; 90; 114.011; 90;

COD ID: 2021050

Formula: - C32 H28 Co2 O18 -
Comments: An, Yan-Yan; Lu, Li-Ping; Zhu, Miao-Li A three-dimensional twofold interpenetrated cobalt(II) MOF containing a flexible carboxylate-based ligand: synthesis, structure and magnetic properties Acta Crystallographica Section C 74(4) (2018)
Space group: P -1
Cell volume: 1574.03
Cell parameters: 10.7964; 10.9649; 14.3692; 96.412; 110.682; 92.9;

COD ID: 2021051

Formula: - C6 H9 N3 O -
Comments: Strey, Mark; Jones, Peter G. Pyridine 1:1 adducts of urea (Z′ = 1) and thiourea (Z′ = 8) Acta Crystallographica Section C Structural Chemistry 74(4) (2018)
Space group: P 1 21/c 1
Cell volume: 730.63
Cell parameters: 9.6552; 10.7203; 7.448; 90; 108.605; 90;

COD ID: 2021052

Formula: - C6 H9 N3 S -
Comments: Strey, Mark; Jones, Peter G. Pyridine 1:1 adducts of urea (Z′ = 1) and thiourea (Z′ = 8) Acta Crystallographica Section C Structural Chemistry 74(4) (2018)
Space group: P 1 21/n 1
Cell volume: 6372.9
Cell parameters: 22.115; 8.4863; 34.1306; 90; 95.778; 90;

COD ID: 2021053

Formula: - C34 H30 Cl2 N2 O2 -
Comments: Shin, In-Sub; Shimada, Yuta; Horiguchi-Babamoto, Emi; Matsumoto, Shinya Two polymorphs of 2,5-dichloro-3,6-bis(dibenzylamino)-p-hydroquinone with flexible dibenzylamino groups Acta Crystallographica Section C 74(4) (2018)
Space group: P 1 21/n 1
Cell volume: 1433.71
Cell parameters: 9.67404; 10.9707; 13.5552; 90; 94.738; 90;

COD ID: 2021054

Formula: - C34 H30 Cl2 N2 O2 -
Comments: Shin, In-Sub; Shimada, Yuta; Horiguchi-Babamoto, Emi; Matsumoto, Shinya Two polymorphs of 2,5-dichloro-3,6-bis(dibenzylamino)-p-hydroquinone with flexible dibenzylamino groups Acta Crystallographica Section C 74(4) (2018)
Space group: P b c a
Cell volume: 2769.1
Cell parameters: 13.2054; 12.4456; 16.8489; 90; 90; 90;

COD ID: 2021055

Formula: - Ca2 Cd2 Na O12 V3 -
Comments: Tokuda, Makoto; Yoshiasa, Akira; Mashimo, Tsutomu; Iishi, Kazuake; Nakatsuka, Akihiko The vanadate garnet Ca~2~NaCd~2~V~3~O~12~: a single-crystal X-ray diffraction study Acta Crystallographica Section C 74(4) (2018)
Space group: I a -3 d
Cell volume: 2076.38
Cell parameters: 12.7576; 12.7576; 12.7576; 90; 90; 90;

COD ID: 2021056

Formula: - C19 H16 B2 N2 O4 -
Comments: Cárdenas-Valenzuela, A. Jaquelin; Baldenebro-López, Jesús; Guerrero-Álvarez, Jorge A.; Höpfl, Herbert; Glossman-Mitnik, Daniel; Campos-Gaxiola, José J.; Cruz-Enríquez, Adriana Supramolecular arrangement and photophysical properties of a dinuclear cyanophenylboronic acid ester Acta Crystallographica Section C 74(4) (2018)
Space group: P 1 21/c 1
Cell volume: 1759.2
Cell parameters: 14.2967; 11.5113; 11.0913; 90; 105.465; 90;

COD ID: 2021057

Formula: - C10 H13 Li N4 O4 S -
Comments: Campbell, Gemma; Fisher, Rebecca; Kennedy, Alan R.; King, Nathan L. C.; Spiteri, Rebecca Salt forms of sulfadiazine with alkali metal and organic cations Acta Crystallographica Section C 74(4) (2018)
Space group: C 1 c 1
Cell volume: 1323.03
Cell parameters: 11.5095; 12.0788; 9.5184; 90; 91.063; 90;

COD ID: 2021058

Formula: - C10 H9 N4 Na O2 S -
Comments: Campbell, Gemma; Fisher, Rebecca; Kennedy, Alan R.; King, Nathan L. C.; Spiteri, Rebecca Salt forms of sulfadiazine with alkali metal and organic cations Acta Crystallographica Section C 74(4) (2018)
Space group: P 1 21/c 1
Cell volume: 1140
Cell parameters: 5.901; 10.534; 18.389; 90; 94.216; 90;

COD ID: 2021059

Formula: - C10 H13 K N4 O4 S -
Comments: Campbell, Gemma; Fisher, Rebecca; Kennedy, Alan R.; King, Nathan L. C.; Spiteri, Rebecca Salt forms of sulfadiazine with alkali metal and organic cations Acta Crystallographica Section C 74(4) (2018)
Space group: P -1
Cell volume: 1351.79
Cell parameters: 8.8503; 9.6385; 15.9734; 92.35; 95.186; 94.209;

COD ID: 2021060

Formula: - C26 H32 N6 Na O14.5 S3 -
Comments: Campbell, Gemma; Fisher, Rebecca; Kennedy, Alan R.; King, Nathan L. C.; Spiteri, Rebecca Salt forms of sulfadiazine with alkali metal and organic cations Acta Crystallographica Section C 74(4) (2018)
Space group: P 1 21/c 1
Cell volume: 3238.42
Cell parameters: 12.7688; 16.904; 15.7411; 90; 107.609; 90;

COD ID: 2021061

Formula: - C15 H16 N6 O2 S -
Comments: Campbell, Gemma; Fisher, Rebecca; Kennedy, Alan R.; King, Nathan L. C.; Spiteri, Rebecca Salt forms of sulfadiazine with alkali metal and organic cations Acta Crystallographica Section C 74(4) (2018)
Space group: P 1 21/c 1
Cell volume: 1573.27
Cell parameters: 8.5796; 19.0371; 11.2512; 90; 121.116; 90;

COD ID: 2021062

Formula: - C12 H19 N5 O4 S -
Comments: Campbell, Gemma; Fisher, Rebecca; Kennedy, Alan R.; King, Nathan L. C.; Spiteri, Rebecca Salt forms of sulfadiazine with alkali metal and organic cations Acta Crystallographica Section C 74(4) (2018)
Space group: P 1 21/c 1
Cell volume: 1456.08
Cell parameters: 12.7755; 9.8979; 11.5366; 90; 93.508; 90;

COD ID: 2021063

Formula: - C13 H10 O2 -
Comments: Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas Prevalent polymorphism in benzophenones Acta Crystallographica Section C 74(4) (2018)
Space group: P b c a
Cell volume: 4057.3
Cell parameters: 15.0087; 13.8489; 19.52; 90; 90; 90;

COD ID: 2021064

Formula: - C15 H15 N O -
Comments: Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas Prevalent polymorphism in benzophenones Acta Crystallographica Section C 74(4) (2018)
Space group: P 21 21 21
Cell volume: 2393.84
Cell parameters: 7.7442; 11.773; 26.2562; 90; 90; 90;

COD ID: 2021065

Formula: - C15 H14 O -
Comments: Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas Prevalent polymorphism in benzophenones Acta Crystallographica Section C 74(4) (2018)
Space group: P 32 2 1
Cell volume: 868.8
Cell parameters: 9.4796; 9.4796; 11.164; 90; 90; 120;

COD ID: 2021066

Formula: - C15 H14 O -
Comments: Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas Prevalent polymorphism in benzophenones Acta Crystallographica Section C 74(4) (2018)
Space group: P 21 21 21
Cell volume: 1157.3
Cell parameters: 12.1952; 7.8601; 12.0734; 90; 90; 90;

COD ID: 2021067

Formula: - C15 H14 O -
Comments: Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas Prevalent polymorphism in benzophenones Acta Crystallographica Section C 74(4) (2018)
Space group: P 1 21/c 1
Cell volume: 2312.6
Cell parameters: 25.369; 6.031; 15.256; 90; 97.788; 90;

COD ID: 2021068

Formula: - C19 H20 Cl2 N4 O5 S -
Comments: Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine Acta Crystallographica Section C 74(4) (2018)
Space group: P 1 21/n 1
Cell volume: 2191.2
Cell parameters: 7.003; 28.2985; 11.507; 90; 106.08; 90;

COD ID: 2021069

Formula: - C19 H23 Br N4 O6 S -
Comments: Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine Acta Crystallographica Section C 74(4) (2018)
Space group: P 1 21/c 1
Cell volume: 2169.4
Cell parameters: 16.944; 6.8991; 19.7206; 90; 109.773; 90;

COD ID: 2021070

Formula: - C19 H23 Cl N4 O6 S -
Comments: Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine Acta Crystallographica Section C 74(4) (2018)
Space group: P 1 21/c 1
Cell volume: 2156.95
Cell parameters: 16.973; 6.8689; 19.6051; 90; 109.321; 90;

COD ID: 2021071

Formula: - C20 H26 N4 O6 S -
Comments: Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine Acta Crystallographica Section C 74(4) (2018)
Space group: P -1
Cell volume: 1096.29
Cell parameters: 6.9417; 9.8281; 16.2754; 90.813; 90.376; 99.084;

COD ID: 2021072

Formula: - C29 H31 N4 O6.5 -
Comments: Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine Acta Crystallographica Section C 74(4) (2018)
Space group: P -1
Cell volume: 2760.2
Cell parameters: 11.168; 16.1913; 16.2434; 106.203; 101.386; 90.029;

COD ID: 2021073

Formula: - C17 H15 Cl3 N4 O2 S -
Comments: Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine Acta Crystallographica Section C 74(4) (2018)
Space group: P -1
Cell volume: 973.8
Cell parameters: 9.3415; 10.2751; 11.373; 63.919; 85.243; 83.689;

COD ID: 2021074

Formula: - C17 H16 Br Cl N4 O2 S -
Comments: Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine Acta Crystallographica Section C 74(4) (2018)
Space group: C 1 2/c 1
Cell volume: 4001.2
Cell parameters: 17.0836; 15.8893; 16.4764; 90; 116.538; 90;

COD ID: 2021075

Formula: - C29 H31 Cl N4 O4 -
Comments: Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine Acta Crystallographica Section C 74(4) (2018)
Space group: P 1 21/n 1
Cell volume: 2827.6
Cell parameters: 9.5195; 15.7842; 18.8336; 90; 92.293; 90;

COD ID: 2021076

Formula: - C34 H34 Cl2 N8 O6 S2 -
Comments: Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine Acta Crystallographica Section C 74(4) (2018)
Space group: P -1
Cell volume: 2757.86
Cell parameters: 10.7421; 11.7053; 24.5947; 85.45; 87.699; 63.459;

COD ID: 2021077

Formula: - C30 H20 O2 -
Comments: Zarei, Seyed Amir; Akhtari, Keivan; Piltan, Mohammad; Kamel, Shaaban M.; Mague, Joel T. The [4+4] thermocyclization of 9-anthraldehyde: synthesis, crystal structure, experimental and theoretical UV spectra, natural bonding orbital analysis and prediction of third-order nonlinear optical properties Acta Crystallographica Section C 74(4) (2018)
Space group: P 1 21/n 1
Cell volume: 2017.86
Cell parameters: 12.9627; 9.6666; 16.6887; 90; 105.217; 90;

COD ID: 2021079

Formula: - C36 H41.5 Br3 Co N9 O9.75 -
Comments: Su, Chang-Kai; Zhang, Kou-Lin Two new Co^II^ coordination polymers with multifunctional 5-amino-2,4,6-tribromoisophthalic acid and flexible isomeric bis(imidazole) ligands: preparation, crystal structure and characterization Acta Crystallographica Section C 74(4) (2018) 504-512
Space group: P -1
Cell volume: 2130
Cell parameters: 10.6773; 13.0608; 16.356; 71.118; 87.07; 80.73;

COD ID: 2021080

Formula: - C22 H16 Br3 Co N5 O4 -
Comments: Su, Chang-Kai; Zhang, Kou-Lin Two new Co^II^ coordination polymers with multifunctional 5-amino-2,4,6-tribromoisophthalic acid and flexible isomeric bis(imidazole) ligands: preparation, crystal structure and characterization Acta Crystallographica Section C 74(4) (2018) 504-512
Space group: P b c a
Cell volume: 5103
Cell parameters: 10.1342; 17.938; 28.071; 90; 90; 90;

COD ID: 2021081

Formula: - C17 H14 F3 N3 -
Comments: Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José The structures of 1,4-diaryl-5-trifluoromethyl-1H-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease Acta Crystallographica Section C 74(4) (2018) 513-522
Space group: P 1 21/n 1
Cell volume: 3131
Cell parameters: 10.001; 20.82; 15.124; 90; 96.12; 90;

COD ID: 2021082

Formula: - C18 H16 F3 N3 O -
Comments: Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José The structures of 1,4-diaryl-5-trifluoromethyl-1H-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease Acta Crystallographica Section C 74(4) (2018) 513-522
Space group: P b c a
Cell volume: 3410.3
Cell parameters: 9.5097; 17.921; 20.011; 90; 90; 90;

COD ID: 2021083

Formula: - C18 H16 F3 N3 O -
Comments: Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José The structures of 1,4-diaryl-5-trifluoromethyl-1H-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease Acta Crystallographica Section C 74(4) (2018) 513-522
Space group: P 1 21/n 1
Cell volume: 1668.5
Cell parameters: 15.1368; 7.7224; 15.4446; 90; 112.454; 90;

COD ID: 2021084

Formula: - C18 H16 F3 N3 O -
Comments: Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José The structures of 1,4-diaryl-5-trifluoromethyl-1H-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease Acta Crystallographica Section C 74(4) (2018) 513-522
Space group: P -1
Cell volume: 859.1
Cell parameters: 8.829; 9.513; 11.598; 106.105; 95.554; 110.049;

COD ID: 2021085

Formula: - C18 H10 F9 N3 O -
Comments: Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José The structures of 1,4-diaryl-5-trifluoromethyl-1H-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease Acta Crystallographica Section C 74(4) (2018) 513-522
Space group: P 1 21/n 1
Cell volume: 1873.6
Cell parameters: 11.9633; 7.8453; 20.0446; 90; 95.191; 90;

COD ID: 2021086

Formula: - C19 H18 F3 N3 O4 -
Comments: Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José The structures of 1,4-diaryl-5-trifluoromethyl-1H-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease Acta Crystallographica Section C 74(4) (2018) 513-522
Space group: P 1 21/c 1
Cell volume: 1954.3
Cell parameters: 30.656; 8.3363; 7.6723; 90; 94.627; 90;

COD ID: 2021087

Formula: - C17 H14 F3 N3 O3 -
Comments: Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José The structures of 1,4-diaryl-5-trifluoromethyl-1H-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease Acta Crystallographica Section C 74(4) (2018) 513-522
Space group: P 1 21/c 1
Cell volume: 1619
Cell parameters: 12.267; 8.4334; 15.686; 90; 93.904; 90;

COD ID: 2021088

Formula: - C16 H8 Mn N4 O8 -
Comments: Liu, Yan-Ju; Cheng, Di; Li, Ya-Xue; Meng, Xiang-Ru; Yang, Huai-Xia A new two-dimensional managnese(II) coordination polymer constructed by 2,2'-(1,2-phenylene)bis(1H-imidazole-4,5-dicarboxylate) Acta Crystallographica Section C 74(5) (2018) 599-603
Space group: P 1 21/c 1
Cell volume: 1627.51
Cell parameters: 8.3422; 16.45; 11.8773; 90; 93.108; 90;

COD ID: 2021089

Formula: - C23 H17 Cl N6 O2 -
Comments: Potočňák, Ivan; Bukrynov, Oleksandr; Kliuikov, Andrii; Čižmár, Erik; Vitushkina, Svitlana; Váhovská, Lucia; Dušek, Michal A Cu^II^ complex with an carbamoylcyanonitrosomethanide ligand formed in situ by the nucleophilic addition of water to dicyanonitrosomethanide: structure, spectral and magnetic properties Acta Crystallographica Section C 74(5) (2018) 584-589
Space group: P 1 21/c 1
Cell volume: 2244.71
Cell parameters: 11.8203; 9.1276; 21.1575; 90; 100.468; 90;

COD ID: 2021090
CIF file Original IUCr paper	Formula: - C38 H36 As Cl O2 Pb2 - Comments: Shihada, Abdel-Fattah; Weller, Frank; Massa, Werner Between MOFs and molecules: organolead(IV) compounds with chain structures Acta Crystallographica Section C Structural Chemistry 74(5) (2018) Space group: P b c a Cell volume: 7129.6 Cell parameters: 19.0566; 15.5255; 24.0975; 90; 90; 90;

COD ID: 2021091
CIF file Original IUCr paper	Formula: - C14 H16 As Cl O2 Pb - Comments: Shihada, Abdel-Fattah; Weller, Frank; Massa, Werner Between MOFs and molecules: organolead(IV) compounds with chain structures Acta Crystallographica Section C Structural Chemistry 74(5) (2018) Space group: P 1 21/c 1 Cell volume: 1493.19 Cell parameters: 7.3822; 19.95; 10.2878; 90; 99.763; 90;

COD ID: 2021092
CIF file Original IUCr paper	Formula: - C30 H25 O2 P Pb - Comments: Shihada, Abdel-Fattah; Weller, Frank; Massa, Werner Between MOFs and molecules: organolead(IV) compounds with chain structures Acta Crystallographica Section C Structural Chemistry 74(5) (2018) Space group: P 1 21/n 1 Cell volume: 2503.3 Cell parameters: 13.8277; 12.6242; 14.4713; 90; 97.717; 90;

COD ID: 2021093

Formula: - C20 H32 O5 -
Comments: Zhao, Chen-Liang; Sarwar, Md. Shahid; Ye, Jiang-Hai; Ku, Chuen Fai; Li, Wan-Fei; Luo, Guo-Yong; Zhang, Jing-Jie; Xu, Jun; Huang, Zhao-Feng; Tsang, Siu Wai; Pan, Lu-Tai; Zhang, Hong-Jie Isolation, evaluation of bioactivity and structure determination of amethinol A, a prototypic amethane diterpene from Isodon amethystoides bearing a six/five/seven-membered carbon-ring system Acta Crystallographica Section C 74(5) (2018) 635-640
Space group: P 21 21 21
Cell volume: 1914.96
Cell parameters: 6.4641; 11.6518; 25.4249; 90; 90; 90;

COD ID: 2021094

Formula: - C23 H24 F2 N3 O2 P -
Comments: Eghbali Toularoud, Mahsa; Pourayoubi, Mehrdad; Dušek, Michal; Eigner, Václav; Damodaran, Krishnan Chiral one-dimensional hydrogen-bonded architectures constructed from single-enantiomer phosphoric triamides Acta Crystallographica Section C 74(5) (2018) 608-617
Space group: P 1
Cell volume: 1103.64
Cell parameters: 9.7608; 10.6134; 11.2721; 77.398; 75.589; 87.635;

COD ID: 2021095

Formula: - C23 H24 F2 N3 O2 P -
Comments: Eghbali Toularoud, Mahsa; Pourayoubi, Mehrdad; Dušek, Michal; Eigner, Václav; Damodaran, Krishnan Chiral one-dimensional hydrogen-bonded architectures constructed from single-enantiomer phosphoric triamides Acta Crystallographica Section C 74(5) (2018) 608-617
Space group: P 1
Cell volume: 1100.33
Cell parameters: 9.7524; 10.6117; 11.251; 77.3381; 75.6221; 87.7313;

COD ID: 2021096

Formula: - C52 H119 N20 Na5 O60 P8 -
Comments: Otreba, Marta; Budzikur, Daria; Górecki, Łukasz; Ślepokura, Katarzyna A. Adenosine hypodiphosphate ester, an analogue of ADP: analysis of the adenine‒hypodiphosphate interaction mode in hypodiphosphate nucleotides and adenine salts Acta Crystallographica Section C 74(5) (2018) 571-583
Space group: C 1 2 1
Cell volume: 4989
Cell parameters: 37.656; 7.031; 21.959; 90; 120.9; 90;

COD ID: 2021097

Formula: - C52 H105 N20 Na O51 P8 -
Comments: Otreba, Marta; Budzikur, Daria; Górecki, Łukasz; Ślepokura, Katarzyna A. Adenosine hypodiphosphate ester, an analogue of ADP: analysis of the adenine‒hypodiphosphate interaction mode in hypodiphosphate nucleotides and adenine salts Acta Crystallographica Section C 74(5) (2018) 571-583
Space group: C 1 2 1
Cell volume: 4641
Cell parameters: 39.474; 6.964; 18.656; 90; 115.18; 90;

COD ID: 2021098

Formula: - C10 H18 N10 O8 P2 -
Comments: Otreba, Marta; Budzikur, Daria; Górecki, Łukasz; Ślepokura, Katarzyna A. Adenosine hypodiphosphate ester, an analogue of ADP: analysis of the adenine‒hypodiphosphate interaction mode in hypodiphosphate nucleotides and adenine salts Acta Crystallographica Section C 74(5) (2018) 571-583
Space group: P 1 21/c 1
Cell volume: 882.1
Cell parameters: 10.515; 11.955; 7.064; 90; 96.62; 90;

COD ID: 2021099

Formula: - C10 H14 N10 O6 P2 -
Comments: Otreba, Marta; Budzikur, Daria; Górecki, Łukasz; Ślepokura, Katarzyna A. Adenosine hypodiphosphate ester, an analogue of ADP: analysis of the adenine‒hypodiphosphate interaction mode in hypodiphosphate nucleotides and adenine salts Acta Crystallographica Section C 74(5) (2018) 571-583
Space group: C 1 2/c 1
Cell volume: 1609.6
Cell parameters: 12.888; 11.093; 11.487; 90; 101.44; 90;

COD ID: 2021100

Formula: - As Nb0.92 Ni -
Comments: Baranets, Sviatoslav; He, Hua; Bobev, Svilen Niobium-bearing arsenides and germanides from elemental mixtures not involving niobium: a new twist to an old problem in solid-state synthesis Acta Crystallographica Section C 74(5) (2018) 623-627
Space group: P n m a
Cell volume: 165.5
Cell parameters: 6.2115; 3.715; 7.172; 90; 90; 90;

COD ID: 2021101

Formula: - As Co Nb -
Comments: Baranets, Sviatoslav; He, Hua; Bobev, Svilen Niobium-bearing arsenides and germanides from elemental mixtures not involving niobium: a new twist to an old problem in solid-state synthesis Acta Crystallographica Section C 74(5) (2018) 623-627
Space group: P n m a
Cell volume: 167.19
Cell parameters: 6.2656; 3.7273; 7.1589; 90; 90; 90;

COD ID: 2021102

Formula: - Ge Nb Ni -
Comments: Baranets, Sviatoslav; He, Hua; Bobev, Svilen Niobium-bearing arsenides and germanides from elemental mixtures not involving niobium: a new twist to an old problem in solid-state synthesis Acta Crystallographica Section C 74(5) (2018) 623-627
Space group: P n m a
Cell volume: 170.66
Cell parameters: 6.2989; 3.7613; 7.2033; 90; 90; 90;

COD ID: 2021103

Formula: - C38 H62 Mg O4 -
Comments: Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Shlyakhtin, Andrey V.; Ivchenko, Pavel V.; Lyssenko, Konstantin A. Phenoxide and alkoxide complexes of Mg, Al and Zn, and their use for the ring-opening polymerization of ε-caprolactone with initiators of different natures Acta Crystallographica Section C 74(5) (2018) 548-557
Space group: P 1 21 1
Cell volume: 5504.7
Cell parameters: 16.847; 15.6786; 21.787; 90; 106.954; 90;

COD ID: 2021104

Formula: - C40 H66 Al2 O8 -
Comments: Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Shlyakhtin, Andrey V.; Ivchenko, Pavel V.; Lyssenko, Konstantin A. Phenoxide and alkoxide complexes of Mg, Al and Zn, and their use for the ring-opening polymerization of ε-caprolactone with initiators of different natures Acta Crystallographica Section C 74(5) (2018) 548-557
Space group: C 1 2/c 1
Cell volume: 4084.5
Cell parameters: 27.7603; 9.0454; 18.4921; 90; 118.401; 90;

COD ID: 2021105

Formula: - C68 H86 O8 Zn7 -
Comments: Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Shlyakhtin, Andrey V.; Ivchenko, Pavel V.; Lyssenko, Konstantin A. Phenoxide and alkoxide complexes of Mg, Al and Zn, and their use for the ring-opening polymerization of ε-caprolactone with initiators of different natures Acta Crystallographica Section C 74(5) (2018) 548-557
Space group: P b c a
Cell volume: 6546.4
Cell parameters: 13.9163; 20.4248; 23.0316; 90; 90; 90;

COD ID: 2021106

Formula: - Cl3 Cu Rb -
Comments: Kornyakov, Ilya V.; Krivovichev, Sergey V.; Gurzhiy, Vladislav V.; Leoni, Matteo ε-RbCuCl~3~, a new polymorph of rubidium copper trichloride: synthesis, structure and structural complexity Acta Crystallographica Section C 74(5) (2018) 529-533
Space group: C 2 2 21
Cell volume: 986.1
Cell parameters: 7.053; 11.864; 11.785; 90; 90; 90;

COD ID: 2021107

Formula: - C16 H35 N7 O7 -
Comments: Jurek, Paul; Kiefer, Garry E.; Fronczek, Frank R. Crystal structures of two polymorphic forms of DOTAM-mono-acid dihydrate Acta Crystallographica Section C 74(5) (2018) 542-547
Space group: P 1 21/n 1
Cell volume: 2153.52
Cell parameters: 9.7361; 13.7118; 16.1437; 90; 92.249; 90;

COD ID: 2021108

Formula: - C16 H35 N7 O7 -
Comments: Jurek, Paul; Kiefer, Garry E.; Fronczek, Frank R. Crystal structures of two polymorphic forms of DOTAM-mono-acid dihydrate Acta Crystallographica Section C 74(5) (2018) 542-547
Space group: P 1 21 1
Cell volume: 2179
Cell parameters: 8.807; 14.9505; 16.6376; 90; 95.903; 90;

COD ID: 2021109

Formula: - Bi5 La3 Ti -
Comments: Ovchinnikov, Alexander; Bobev, Svilen Undistorted linear Bi chains with hypervalent bonding in La~3~TiBi~5~ from single-crystal X-ray diffraction Acta Crystallographica Section C 74(5) (2018) 618-622
Space group: P 63/m c m
Cell volume: 524.4
Cell parameters: 9.6871; 9.6871; 6.4528; 90; 90; 120;

COD ID: 2021110

Formula: - C78 H126 La O18 P3 -
Comments: Minyaev, Mikhail E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Bondarenko, Galina N.; Churakov, Andrei V.; Nifant'ev, Ilya E. Isomorphous rare-earth tris[bis(2,6-diisopropylphenyl) phosphate] complexes and their catalytic properties in 1,3-diene polymerization and in the inhibited oxidation of polydimethylsiloxane Acta Crystallographica Section C 74(5) (2018) 590-598
Space group: P 1 21/c 1
Cell volume: 8440.8
Cell parameters: 23.511; 10.6098; 33.8618; 90; 92.1502; 90;

COD ID: 2021111

Formula: - C78 H126 Ce O18 P3 -
Comments: Minyaev, Mikhail E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Bondarenko, Galina N.; Churakov, Andrei V.; Nifant'ev, Ilya E. Isomorphous rare-earth tris[bis(2,6-diisopropylphenyl) phosphate] complexes and their catalytic properties in 1,3-diene polymerization and in the inhibited oxidation of polydimethylsiloxane Acta Crystallographica Section C 74(5) (2018) 590-598
Space group: P 1 21/c 1
Cell volume: 8473.4
Cell parameters: 23.578; 10.6366; 33.808; 90; 92.022; 90;

COD ID: 2021112

Formula: - C78 H126 Nd O18 P3 -
Comments: Minyaev, Mikhail E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Bondarenko, Galina N.; Churakov, Andrei V.; Nifant'ev, Ilya E. Isomorphous rare-earth tris[bis(2,6-diisopropylphenyl) phosphate] complexes and their catalytic properties in 1,3-diene polymerization and in the inhibited oxidation of polydimethylsiloxane Acta Crystallographica Section C 74(5) (2018) 590-598
Space group: P 1 21/c 1
Cell volume: 8423.2
Cell parameters: 23.5159; 10.6376; 33.6934; 90; 92.038; 90;

COD ID: 2021113

Formula: - C18 H24 O4 -
Comments: Shahid, Ammara; Aziz, Ambreen; Noureen, Sajida; Ahmed, Maqsood; Yousuf, Sammer; Choudhary, Muhammad Iqbal Biotransformation, spectroscopic investigation, crystal structure and electrostatic properties of 3,7α-dihydroxyestra-1,3,5(10)-trien-17-one monohydrate studied using transferred electron-density parameters Acta Crystallographica Section C 74(5) (2018) 534-541
Space group: P 1 21 1
Cell volume: 769.1
Cell parameters: 6.143; 8.4833; 14.767; 90; 91.94; 90;

COD ID: 2021114

COD ID: 2021115

COD ID: 2021118

Formula: - C18 H20 B N O6 -
Comments: Hadjadj, Nasreddine; Dems, Mohamed AbdEsselem; Merazig, Hocine; Bendjeddou, Lamia Synthesis, structure characterization, photoluminescence properties and TD‒DFT calculations for two new borates Acta Crystallographica Section C 74(4) (2018) 411-417
Space group: P -1
Cell volume: 919.8
Cell parameters: 9.05; 10.006; 11.082; 69.207; 79.497; 82.267;

COD ID: 2021119

Formula: - C17 H18 B N O6 -
Comments: Hadjadj, Nasreddine; Dems, Mohamed AbdEsselem; Merazig, Hocine; Bendjeddou, Lamia Synthesis, structure characterization, photoluminescence properties and TD‒DFT calculations for two new borates Acta Crystallographica Section C 74(4) (2018) 411-417
Space group: P 1 21/c 1
Cell volume: 1674.3
Cell parameters: 11.529; 8.885; 17.216; 90; 108.308; 90;

COD ID: 2021120

Formula: - C14 H14 N8 O -
Comments: Chen, Xiang; Zhang, Cong; Bai, Yang; Guo, Zhaoqi; Yao, Yanru; Song, Jirong; Ma, Haixia Synthesis, crystal structure and thermal properties of an unsymmetrical 1,2,4,5-tetrazine energetic derivative Acta Crystallographica Section C 74(6) (2018)
Space group: P 1 21/c 1
Cell volume: 1439.3
Cell parameters: 5.8043; 31.562; 7.898; 90; 95.86; 90;

COD ID: 2021121

Formula: - C7 H11 Cl N2 O2 -
Comments: Prodius, Denis; Wilk-Kozubek, Magdalena; Mudring, Anja-Verena Synthesis, structural characterization and luminescence properties of 1-carboxymethyl-3-ethylimidazolium chloride Acta Crystallographica Section C Structural Chemistry 74(6) (2018)
Space group: P 1 21/n 1
Cell volume: 940.3
Cell parameters: 10.2225; 9.6736; 10.2678; 90; 112.165; 90;

COD ID: 2021122

Formula: - C24 H26 F N O -
Comments: Yao, Binrong; Li, Ning; Wang, Chunhua; Hou, Guige; Meng, Qingguo; Yan, Ke Novel asymmetric 3,5-bis(arylidene)piperidin-4-one derivatives: synthesis, crystal structures and cytotoxicity Acta Crystallographica Section C 74(6) (2018)
Space group: P 1 21/c 1
Cell volume: 2066.6
Cell parameters: 13.4219; 8.3679; 18.5974; 90; 98.348; 90;

COD ID: 2021123

Formula: - C26 H31 N O3 -
Comments: Yao, Binrong; Li, Ning; Wang, Chunhua; Hou, Guige; Meng, Qingguo; Yan, Ke Novel asymmetric 3,5-bis(arylidene)piperidin-4-one derivatives: synthesis, crystal structures and cytotoxicity Acta Crystallographica Section C 74(6) (2018)
Space group: P 1 21/c 1
Cell volume: 2327.8
Cell parameters: 19.1378; 16.2788; 7.5525; 90; 98.386; 90;

COD ID: 2021124

Formula: - C27 H23 F N2 O3 -
Comments: Yao, Binrong; Li, Ning; Wang, Chunhua; Hou, Guige; Meng, Qingguo; Yan, Ke Novel asymmetric 3,5-bis(arylidene)piperidin-4-one derivatives: synthesis, crystal structures and cytotoxicity Acta Crystallographica Section C 74(6) (2018)
Space group: P -1
Cell volume: 1101.18
Cell parameters: 7.0689; 8.2072; 20.1397; 94.401; 97.829; 106.575;

COD ID: 2021125

Formula: - C132 H203 La2 O23 P5 -
Comments: Minyaev, Mikhail E.; Korchagina, Sof'ya A.; Tavtorkin, Alexander N.; Churakov, Andrei V.; Nifant'ev, Ilya E. Dinuclear neodymium and lanthanum bis(2,6-diisopropylphenyl) phosphate complexes bearing a hydroxide ligand: catalytic activity of the Nd complex in 1,3-diene polymerization Acta Crystallographica Section C 74(6) (2018)
Space group: P 1 21/n 1
Cell volume: 13785.8
Cell parameters: 27.4921; 16.9467; 30.909; 90; 106.801; 90;

COD ID: 2021126

Formula: - C134 H211 Nd2 O25 P5 -
Comments: Minyaev, Mikhail E.; Korchagina, Sof'ya A.; Tavtorkin, Alexander N.; Churakov, Andrei V.; Nifant'ev, Ilya E. Dinuclear neodymium and lanthanum bis(2,6-diisopropylphenyl) phosphate complexes bearing a hydroxide ligand: catalytic activity of the Nd complex in 1,3-diene polymerization Acta Crystallographica Section C 74(6) (2018)
Space group: P -1
Cell volume: 7052
Cell parameters: 15.094; 17.491; 27.444; 102.142; 95.211; 90.412;

COD ID: 2021127
CIF file	Formula: - C23 H31 Cl F N3 O5 - Comments: Zhou, Xin-Bo; Zhu, Jian-Rong; Gu, Jian-Ming; Hu, Xiu-Rong A new polymorph of the gastrokinetic drug cisapride monohydrate Acta Crystallographica Section C 74(6) (2018) Space group: P 1 21/n 1 Cell volume: 2445.1 Cell parameters: 12.3225; 14.5183; 13.8141; 90; 98.361; 90;

COD ID: 2021128

Formula: - C21 H24 N6 O3 S -
Comments: Cobo, Justo; Vicentes, Daniel E.; Rodríguez, Ricaurte; Marchal, Antonio; Glidewell, Christopher A concise synthesis of a highly substituted 6-(1H-benzimidazol-1-yl)-5-nitrosopyrimidin-2-amine: synthetic sequence and the molecular and supramolecular structures of one product and two intermediates Acta Crystallographica Section C 74(6) (2018)
Space group: P 1 21/c 1
Cell volume: 2132.7
Cell parameters: 10.801; 17.301; 11.777; 90; 104.28; 90;

COD ID: 2021129

Formula: - C16 H22 N6 O4 S -
Comments: Cobo, Justo; Vicentes, Daniel E.; Rodríguez, Ricaurte; Marchal, Antonio; Glidewell, Christopher A concise synthesis of a highly substituted 6-(1H-benzimidazol-1-yl)-5-nitrosopyrimidin-2-amine: synthetic sequence and the molecular and supramolecular structures of one product and two intermediates Acta Crystallographica Section C 74(6) (2018)
Space group: P 1 21/c 1
Cell volume: 1921.9
Cell parameters: 10.8498; 17.2238; 11.3806; 90; 115.351; 90;

COD ID: 2021130

Formula: - C14 H14 N4 O6 -
Comments: Mnguni, Malitsatsi J.; Michael, Joseph P.; Lemmerer, Andreas Binary polymorphic cocrystals: an update on the available literature in the Cambridge Structural Database, including a new polymorph of the pharmaceutical 1:1 cocrystal theophylline‒3,4-dihydroxybenzoic acid Acta Crystallographica Section C 74(6) (2018)
Space group: P b c a
Cell volume: 2839.6
Cell parameters: 6.7095; 13.7764; 30.7205; 90; 90; 90;

COD ID: 2021131

Formula: - C4 H12 I3 N2 Na -
Comments: Chen, Xiao-Gang; Gao, Ji-Xing; Hua, Xiu-Ni; Liao, Wei-Qiang Three-dimensional organic‒inorganic hybrid sodium halide perovskite: C~4~H~12~N~2~·NaI~3~ and a hydrogen-bonded supramolecular three-dimensional network in 3C~4~H~12~N~2~·NaI~4~·3I·H~2~O Acta Crystallographica Section C 74(6) (2018)
Space group: C 1 2/c 1
Cell volume: 1146.6
Cell parameters: 9.842; 9.309; 12.538; 90; 93.45; 90;

COD ID: 2021132

Formula: - C12 H38 I7 N6 Na O -
Comments: Chen, Xiao-Gang; Gao, Ji-Xing; Hua, Xiu-Ni; Liao, Wei-Qiang Three-dimensional organic‒inorganic hybrid sodium halide perovskite: C~4~H~12~N~2~·NaI~3~ and a hydrogen-bonded supramolecular three-dimensional network in 3C~4~H~12~N~2~·NaI~4~·3I·H~2~O Acta Crystallographica Section C 74(6) (2018)
Space group: P 1 21/n 1
Cell volume: 3152.7
Cell parameters: 12.186; 22.828; 12.214; 90; 111.89; 90;

COD ID: 2021133

Formula: - C24 H31 N O6 -
Comments: Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D. Cocrystals of the antimalarial drug 11-azaartemisinin with three alkenoic acids of 1:1 or 2:1 stoichiometry Acta Crystallographica Section C 74(6) (2018)
Space group: P 1
Cell volume: 1100.85
Cell parameters: 9.5552; 10.3175; 11.9645; 91.085; 110.515; 93.998;

COD ID: 2021134

Formula: - C19 H27 N O8 -
Comments: Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D. Cocrystals of the antimalarial drug 11-azaartemisinin with three alkenoic acids of 1:1 or 2:1 stoichiometry Acta Crystallographica Section C 74(6) (2018)
Space group: P 21 21 21
Cell volume: 1971.07
Cell parameters: 9.62162; 10.40235; 19.6935; 90; 90; 90;

COD ID: 2021135

Formula: - C34 H50 N2 O12 -
Comments: Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D. Cocrystals of the antimalarial drug 11-azaartemisinin with three alkenoic acids of 1:1 or 2:1 stoichiometry Acta Crystallographica Section C 74(6) (2018)
Space group: P 21 21 21
Cell volume: 3304.04
Cell parameters: 9.7885; 9.9965; 33.7661; 90; 90; 90;

COD ID: 2021136

Formula: - C34 H50 N2 O12 -
Comments: Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D. Cocrystals of the antimalarial drug 11-azaartemisinin with three alkenoic acids of 1:1 or 2:1 stoichiometry Acta Crystallographica Section C 74(6) (2018)
Space group: P 1 21 1
Cell volume: 1700.83
Cell parameters: 9.57929; 10.05214; 17.7765; 90; 96.4731; 90;

COD ID: 2021137

Formula: - C96 H156 Co2 N4 O21 -
Comments: Drath, Olga; Gable, Robert W.; Boskovic, Colette Structural investigation of one- and two-dimensional coordination polymers based on cobalt‒bis(dioxolene) units and 1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane Acta Crystallographica Section C Structural Chemistry 74(6) (2018)
Space group: P 1 21/c 1
Cell volume: 5080.8
Cell parameters: 23.849; 11.679; 18.319; 90; 95.28; 90;

COD ID: 2021138

Formula: - C56 H80 Co N4 O11 -
Comments: Drath, Olga; Gable, Robert W.; Boskovic, Colette Structural investigation of one- and two-dimensional coordination polymers based on cobalt‒bis(dioxolene) units and 1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane Acta Crystallographica Section C Structural Chemistry 74(6) (2018)
Space group: P -1
Cell volume: 2797.1
Cell parameters: 10.072; 16.135; 18.192; 75.34; 83.15; 78.7;

COD ID: 2021139

Formula: - C56 H80 Co N4 O11 -
Comments: Drath, Olga; Gable, Robert W.; Boskovic, Colette Structural investigation of one- and two-dimensional coordination polymers based on cobalt‒bis(dioxolene) units and 1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane Acta Crystallographica Section C Structural Chemistry 74(6) (2018)
Space group: P -1
Cell volume: 2795.5
Cell parameters: 10.066; 16.124; 18.205; 75.36; 83.11; 78.68;

COD ID: 2021140

Formula: - C56 H76 Co N4 O9 -
Comments: Drath, Olga; Gable, Robert W.; Boskovic, Colette Structural investigation of one- and two-dimensional coordination polymers based on cobalt‒bis(dioxolene) units and 1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane Acta Crystallographica Section C Structural Chemistry 74(6) (2018)
Space group: P -1
Cell volume: 2906
Cell parameters: 10.168; 16.321; 18.515; 75.33; 82.77; 78.77;

COD ID: 2021141

Formula: - C12 H16 Er O14.5 P4 -
Comments: Mendes, Ricardo F.; Firmino, Ana D. G.; Tomé, João P. C.; Almeida Paz, Filipe A. Metal‒organic framework assembled from erbium and a tetrapodal polyphosphonic acid organic linker Acta Crystallographica Section C 74(6) (2018)
Space group: P 1 21/c 1
Cell volume: 2041.3
Cell parameters: 9.1557; 23.753; 10.379; 90; 115.261; 90;

COD ID: 2021142

Formula: - C80 H96 Na O10 Sc -
Comments: Ellis, John E.; Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Churakov, Andrei V. Scandium complexes with the tetraphenylethylene and anthracene dianions Acta Crystallographica Section C 74(6) (2018) 769-781
Space group: P -1
Cell volume: 3424.3
Cell parameters: 12.6071; 14.764; 18.585; 84.507; 88.508; 84.033;

COD ID: 2021143

Formula: - C17 H14 -
Comments: Ellis, John E.; Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Churakov, Andrei V. Scandium complexes with the tetraphenylethylene and anthracene dianions Acta Crystallographica Section C 74(6) (2018) 769-781
Space group: P 1 21/n 1
Cell volume: 1157.65
Cell parameters: 7.3278; 5.944; 26.6551; 90; 94.352; 90;

COD ID: 2021144

Formula: - C50.5 H45 O Sc -
Comments: Ellis, John E.; Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Churakov, Andrei V. Scandium complexes with the tetraphenylethylene and anthracene dianions Acta Crystallographica Section C 74(6) (2018) 769-781
Space group: C 1 2/c 1
Cell volume: 7457.7
Cell parameters: 36.06; 9.5557; 23.662; 90; 113.84; 90;

COD ID: 2021145

Formula: - C96 H96 K2 O5 Sc2 -
Comments: Ellis, John E.; Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Churakov, Andrei V. Scandium complexes with the tetraphenylethylene and anthracene dianions Acta Crystallographica Section C 74(6) (2018) 769-781
Space group: I b a m
Cell volume: 7883.9
Cell parameters: 18.1056; 19.9164; 21.8633; 90; 90; 90;

COD ID: 2021146

Formula: - C42 H32 N12 O12 -
Comments: Breton, Gary W.; Martin, Kenneth L. Unanticipated formation of a novel octaazacyclodecane ring upon oxidation of a 1,1-bis-urazole Acta Crystallographica Section C 74(5) (2018) 558-563
Space group: P -1
Cell volume: 2074.1
Cell parameters: 11.4603; 11.6052; 16.3587; 92.862; 105.149; 97.497;

COD ID: 2021147

Formula: - C12 H15 N O5 -
Comments: Manin, Alex N.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L. Pharmaceutical salts of emoxypine with dicarboxylic acids Acta Crystallographica Section C 74(7) (2018)
Space group: P c c n
Cell volume: 2480.5
Cell parameters: 26.571; 6.9074; 13.5152; 90; 90; 90;

COD ID: 2021148

Formula: - C11 H15 N O5 -
Comments: Manin, Alex N.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L. Pharmaceutical salts of emoxypine with dicarboxylic acids Acta Crystallographica Section C 74(7) (2018)
Space group: P -1
Cell volume: 1164.07
Cell parameters: 8.9211; 10.5301; 13.7175; 80.0535; 86.3313; 66.5117;

COD ID: 2021149

Formula: - C14 H21 N O5 -
Comments: Manin, Alex N.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L. Pharmaceutical salts of emoxypine with dicarboxylic acids Acta Crystallographica Section C 74(7) (2018)
Space group: P -1
Cell volume: 714.9
Cell parameters: 8.7831; 8.9442; 9.6114; 77.301; 76.142; 85.677;

COD ID: 2021150

Formula: - C8 H10 Cd I2 N6 O2 -
Comments: Karthikeyan, Ammasai; Zeller, Matthias; Thomas Muthiah, Packianathan Supramolecular architectures in metal(II) (Cd/Zn) halide/nitrate complexes of cytosine/5-fluorocytosine Acta Crystallographica Section C 74(7) (2018)
Space group: P -1
Cell volume: 720.49
Cell parameters: 7.2911; 8.1724; 12.5766; 89.109; 74.2345; 87.4815;

COD ID: 2021151

Formula: - C8 H10 Cd N8 O8 -
Comments: Karthikeyan, Ammasai; Zeller, Matthias; Thomas Muthiah, Packianathan Supramolecular architectures in metal(II) (Cd/Zn) halide/nitrate complexes of cytosine/5-fluorocytosine Acta Crystallographica Section C 74(7) (2018)
Space group: P 1 21/c 1
Cell volume: 1455.29
Cell parameters: 12.9213; 8.5142; 13.6486; 90; 104.259; 90;

COD ID: 2021152

Formula: - C8 H10 Br2 F2 N6 O3 Zn -
Comments: Karthikeyan, Ammasai; Zeller, Matthias; Thomas Muthiah, Packianathan Supramolecular architectures in metal(II) (Cd/Zn) halide/nitrate complexes of cytosine/5-fluorocytosine Acta Crystallographica Section C 74(7) (2018)
Space group: P -1
Cell volume: 705.39
Cell parameters: 8.0586; 10.1383; 10.1842; 89.6438; 68.0189; 67.7878;

COD ID: 2021153

Formula: - C14 H9 Cl N2 O2 S -
Comments: Joy, Monu; Anabha, E. R.; Gopi, Subash P.; Mathew, Bijo; Kumar S, Ajeesh; Mathews, Annie Structural and optical profile of a multifunctionalized 2-pyridone derivative in a crystal engineering perspective Acta Crystallographica Section C 74(7) (2018)
Space group: P 1 21/n 1
Cell volume: 1332.2
Cell parameters: 15.5215; 4.1954; 20.4883; 90; 93.139; 90;

COD ID: 2021154

Formula: - C13 H17.66667 N O2.33333 -
Comments: Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka Cinnamamide pharmacophore for anticonvulsant activity: evidence from crystallographic studies Acta Crystallographica Section C Structural Chemistry 74(7) (2018)
Space group: P -1
Cell volume: 1849.3
Cell parameters: 8.5101; 15.023; 15.821; 68.242; 80.424; 89.491;

COD ID: 2021155

Formula: - C13 H17 N O2 -
Comments: Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka Cinnamamide pharmacophore for anticonvulsant activity: evidence from crystallographic studies Acta Crystallographica Section C Structural Chemistry 74(7) (2018)
Space group: P 1 21/c 1
Cell volume: 1204.39
Cell parameters: 5.992; 14.451; 14.346; 90; 104.178; 90;

COD ID: 2021156

Formula: - C14 H19 N O2 -
Comments: Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka Cinnamamide pharmacophore for anticonvulsant activity: evidence from crystallographic studies Acta Crystallographica Section C Structural Chemistry 74(7) (2018)
Space group: P 1 21/c 1
Cell volume: 2676.25
Cell parameters: 10.6921; 21.1761; 11.8518; 90; 94.198; 90;

COD ID: 2021157

Formula: - C14 H12 O4 S -
Comments: Andleeb, Hina; Khan, Imtiaz; Bauzá, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio A comparative experimental and theoretical investigation of hydrogen-bond, halogen-bond and π‒π interactions in the solid-state supramolecular assembly of 2- and 4-formylphenyl arylsulfonates Acta Crystallographica Section C 74(7) (2018)
Space group: C 1 2/c 1
Cell volume: 2690.3
Cell parameters: 23.7755; 8.3718; 16.3235; 90; 124.106; 90;

COD ID: 2021158

Formula: - C13 H9 Cl O4 S -
Comments: Andleeb, Hina; Khan, Imtiaz; Bauzá, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio A comparative experimental and theoretical investigation of hydrogen-bond, halogen-bond and π‒π interactions in the solid-state supramolecular assembly of 2- and 4-formylphenyl arylsulfonates Acta Crystallographica Section C 74(7) (2018)
Space group: P 1 21/c 1
Cell volume: 1317.2
Cell parameters: 13.7066; 12.9371; 7.431; 90; 91.565; 90;

COD ID: 2021159

Formula: - C13 H9 Br O4 S -
Comments: Andleeb, Hina; Khan, Imtiaz; Bauzá, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio A comparative experimental and theoretical investigation of hydrogen-bond, halogen-bond and π‒π interactions in the solid-state supramolecular assembly of 2- and 4-formylphenyl arylsulfonates Acta Crystallographica Section C 74(7) (2018)
Space group: P -1
Cell volume: 659.38
Cell parameters: 7.8282; 8.5963; 10.1139; 91.249; 102.818; 95.938;

COD ID: 2021160

Formula: - C13 H9 Cl O4 S -
Comments: Andleeb, Hina; Khan, Imtiaz; Bauzá, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio A comparative experimental and theoretical investigation of hydrogen-bond, halogen-bond and π‒π interactions in the solid-state supramolecular assembly of 2- and 4-formylphenyl arylsulfonates Acta Crystallographica Section C 74(7) (2018)
Space group: P 1 21/c 1
Cell volume: 1320.45
Cell parameters: 10.467; 11.9547; 10.6575; 90; 98.045; 90;

COD ID: 2021161

Formula: - C13 H9 Br O4 S -
Comments: Andleeb, Hina; Khan, Imtiaz; Bauzá, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio A comparative experimental and theoretical investigation of hydrogen-bond, halogen-bond and π‒π interactions in the solid-state supramolecular assembly of 2- and 4-formylphenyl arylsulfonates Acta Crystallographica Section C 74(7) (2018)
Space group: P -1
Cell volume: 672.06
Cell parameters: 6.8248; 7.2849; 15.1587; 79.746; 83.57; 65.091;

COD ID: 2021162

Formula: - C23 H26 O4 -
Comments: Purushothaman, Gayathri; Thiruvenkatam, Vijay Qualitative and quantitative analysis of intermolecular interactions in xanthenedione derivatives Acta Crystallographica Section C 74(7) (2018)
Space group: P 1 21/c 1
Cell volume: 1984.8
Cell parameters: 12.251; 14.971; 10.868; 90; 95.289; 90;

COD ID: 2021163

Formula: - C24 H27 Br O4 -
Comments: Purushothaman, Gayathri; Thiruvenkatam, Vijay Qualitative and quantitative analysis of intermolecular interactions in xanthenedione derivatives Acta Crystallographica Section C 74(7) (2018)
Space group: P b c a
Cell volume: 4433.7
Cell parameters: 20.6531; 9.5629; 22.4489; 90; 90; 90;

COD ID: 2021164

Formula: - C22 H25 N O3 -
Comments: Purushothaman, Gayathri; Thiruvenkatam, Vijay Qualitative and quantitative analysis of intermolecular interactions in xanthenedione derivatives Acta Crystallographica Section C 74(7) (2018)
Space group: P -1
Cell volume: 1922.5
Cell parameters: 9.2893; 10.0558; 22.911; 83.057; 85.272; 64.888;

COD ID: 2021165

Formula: - C19 H16 F I N2 O4 -
Comments: Nguyen Tien, Cong; Nguyen Van, Thin; Le Duc, Giang; Vu Quoc, Manh; Vu Quoc, Trung; Pham Chien, Thang; Nguyen Huy, Hung; Dang Thi Tuyet, Anh; Nguyen Van, Tuyen; Van Meervelt, Luc Synthesis, structure and in vitro cytotoxicity testing of some 1,3,4-oxadiazoline derivatives from 2-hydroxy-5-iodobenzoic acid Acta Crystallographica Section C 74(7) (2018)
Space group: P 1 21/c 1
Cell volume: 1849
Cell parameters: 9.1241; 20.098; 10.7456; 90; 110.224; 90;

COD ID: 2021166

Formula: - C19 H16 Cl I N2 O4 -
Comments: Nguyen Tien, Cong; Nguyen Van, Thin; Le Duc, Giang; Vu Quoc, Manh; Vu Quoc, Trung; Pham Chien, Thang; Nguyen Huy, Hung; Dang Thi Tuyet, Anh; Nguyen Van, Tuyen; Van Meervelt, Luc Synthesis, structure and in vitro cytotoxicity testing of some 1,3,4-oxadiazoline derivatives from 2-hydroxy-5-iodobenzoic acid Acta Crystallographica Section C 74(7) (2018)
Space group: P 1 21/c 1
Cell volume: 1907.9
Cell parameters: 11.703; 22.037; 7.4073; 90; 92.888; 90;

COD ID: 2021167

Formula: - C19 H17 I N2 O4 -
Comments: Nguyen Tien, Cong; Nguyen Van, Thin; Le Duc, Giang; Vu Quoc, Manh; Vu Quoc, Trung; Pham Chien, Thang; Nguyen Huy, Hung; Dang Thi Tuyet, Anh; Nguyen Van, Tuyen; Van Meervelt, Luc Synthesis, structure and in vitro cytotoxicity testing of some 1,3,4-oxadiazoline derivatives from 2-hydroxy-5-iodobenzoic acid Acta Crystallographica Section C 74(7) (2018)
Space group: P 1 21/c 1
Cell volume: 1832.4
Cell parameters: 8.837; 20.056; 11.015; 90; 110.18; 90;

COD ID: 2021168

Formula: - C15 H24 N O4 -
Comments: Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Waszkielewicz, Anna M. Supramolecular architectures of succinates of 1-hydroxypropan-2-aminium derivatives Acta Crystallographica Section C 74(7) (2018)
Space group: P 1 21/n 1
Cell volume: 1528.79
Cell parameters: 11.5982; 8.8651; 15.2964; 90; 103.581; 90;

COD ID: 2021169

Formula: - C30 H48 N2 O8 -
Comments: Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Waszkielewicz, Anna M. Supramolecular architectures of succinates of 1-hydroxypropan-2-aminium derivatives Acta Crystallographica Section C 74(7) (2018)
Space group: P 1 21 1
Cell volume: 3049.12
Cell parameters: 11.1942; 8.6142; 31.6661; 90; 93.082; 90;

COD ID: 2021170

Formula: - C24 H26 Cl F6 N2 O4 P Ru -
Comments: Traven, Katja; Turel, Iztok; Koziskova, Julia; Bučinský, Lukáč; Kožíšek, Jozef Concomitant polymorphism in an organometallic ruthenium(II) complex with an N,N'-donor ligand Acta Crystallographica Section C 74(6) (2018) 683-689
Space group: P 1 21/c 1
Cell volume: 2702.83
Cell parameters: 7.5508; 23.0248; 15.8985; 90; 102.081; 90;

COD ID: 2021171

Formula: - C24 H26 Cl F6 N2 O4 P Ru -
Comments: Traven, Katja; Turel, Iztok; Koziskova, Julia; Bučinský, Lukáč; Kožíšek, Jozef Concomitant polymorphism in an organometallic ruthenium(II) complex with an N,N'-donor ligand Acta Crystallographica Section C 74(6) (2018) 683-689
Space group: P 1 21/n 1
Cell volume: 2672.87
Cell parameters: 11.4706; 16.97; 13.9242; 90; 99.55; 90;

COD ID: 2021172

Formula: - C20 H26 O6 -
Comments: Brito, Maria V.; Marques, Ricardo A.; Mattos, Marcos C.; Alvarenga, Meiry E.; Valdo, Ana Karoline S. M.; Oliveira, Maria C. F.; Martins, Felipe T. Semisynthesis and absolute configuration of a novel rearranged 19,20-δ-lactone (9βH)-pimarane diterpene Acta Crystallographica Section C Structural Chemistry 74(8) (2018)
Space group: P 21 21 21
Cell volume: 1777.78
Cell parameters: 6.6712; 11.9999; 22.2073; 90; 90; 90;

COD ID: 2021173

Formula: - C20 H32 O7 -
Comments: Brito, Maria V.; Marques, Ricardo A.; Mattos, Marcos C.; Alvarenga, Meiry E.; Valdo, Ana Karoline S. M.; Oliveira, Maria C. F.; Martins, Felipe T. Semisynthesis and absolute configuration of a novel rearranged 19,20-δ-lactone (9βH)-pimarane diterpene Acta Crystallographica Section C Structural Chemistry 74(8) (2018)
Space group: P 21 21 2
Cell volume: 1911.1
Cell parameters: 11.7555; 20.224; 8.0385; 90; 90; 90;

COD ID: 2021174

Formula: - C24 H16 Cd N2 O8 -
Comments: Zhou, Qian-Kun; Wang, Lin; Liu, Dong Construction of a three-dimensional supramolecular framework based on an anionic cadmium(II) coordination network and protonated dipyridine organic cations Acta Crystallographica Section C 74(8) (2018)
Space group: C 1 2/c 1
Cell volume: 2030.5
Cell parameters: 10.392; 12.459; 15.726; 90; 94.25; 90;

COD ID: 2021175

Formula: - C21 H17 Cd N3 O4 -
Comments: Wang, Lin; Zhou, Qian-Kun; Xu, Yun; Li, Ni-Ya Substituent effects of two isophthalate derivatives on the construction of cadmium coordination polymers incorporating a dipyridyl ligand Acta Crystallographica Section C 74(8) (2018)
Space group: P -1
Cell volume: 970.3
Cell parameters: 9.1432; 10.439; 10.872; 73.04; 83.23; 78.38;

COD ID: 2021176

Formula: - C20 H15 Cd N3 O5 -
Comments: Wang, Lin; Zhou, Qian-Kun; Xu, Yun; Li, Ni-Ya Substituent effects of two isophthalate derivatives on the construction of cadmium coordination polymers incorporating a dipyridyl ligand Acta Crystallographica Section C 74(8) (2018)
Space group: P b c a
Cell volume: 3640.7
Cell parameters: 12.387; 14.684; 20.016; 90; 90; 90;

COD ID: 2021178

Formula: - C9 H7 Br0.43 Cl0.57 O2 -
Comments: Khoj, Manal A.; Hughes, Colan E.; Harris, Kenneth D. M.; Kariuki, Benson M. Polymorphic phase transformations of 3-chloro-trans-cinnamic acid and its solid solution with 3-bromo-trans-cinnamic acid Acta Crystallographica Section C 74(8) (2018)
Space group: P 1 21/a 1
Cell volume: 866.68
Cell parameters: 12.3957; 4.9381; 14.2102; 90; 94.871; 90;

COD ID: 2021179

Formula: - C9 H7 Br0.49 Cl0.51 O2 -
Comments: Khoj, Manal A.; Hughes, Colan E.; Harris, Kenneth D. M.; Kariuki, Benson M. Polymorphic phase transformations of 3-chloro-trans-cinnamic acid and its solid solution with 3-bromo-trans-cinnamic acid Acta Crystallographica Section C 74(8) (2018)
Space group: C 1 2/c 1
Cell volume: 1721.1
Cell parameters: 19.054; 3.9451; 24.661; 90; 111.81; 90;

COD ID: 2021180

Formula: - C20 H20 N3 O3 P S -
Comments: Pietrzak, Anna; Modranka, Jakub; Wojciechowski, Jakub; Janecki, Tomasz; Wolf, Wojciech M. Supramolecular architecture in azaheterocyclic phosphonates. III. Structures of an ethyl phosphonamidate and an ethyl phosphonate Acta Crystallographica Section C 74(8) (2018)
Space group: P 1 21 1
Cell volume: 1924.99
Cell parameters: 16.4417; 5.1623; 23.7712; 90; 107.43; 90;

COD ID: 2021181

Formula: - C18 H25 N2 O4 P S -
Comments: Pietrzak, Anna; Modranka, Jakub; Wojciechowski, Jakub; Janecki, Tomasz; Wolf, Wojciech M. Supramolecular architecture in azaheterocyclic phosphonates. III. Structures of an ethyl phosphonamidate and an ethyl phosphonate Acta Crystallographica Section C 74(8) (2018)
Space group: P -1
Cell volume: 961.59
Cell parameters: 9.6275; 10.0903; 11.8585; 65.779; 67.462; 74.329;

COD ID: 2021182

Formula: - C18 H30 Cu F5 N6 Nb O -
Comments: Sharko, Anastasiya V.; Erhart, Oliver; Krautscheid, Harald; Domasevitch, Kostiantyn V. Making an order: the concerted alignment of [MOF~5~]^2{-^} (M = Nb and Ta) dipolar anions in one-dimensional coordination chains sustained by tris(3,4,5-trimethyl-1H-pyrazole)copper(II) Acta Crystallographica Section C 74(8) (2018)
Space group: P 1 21/c 1
Cell volume: 2458.01
Cell parameters: 9.3311; 13.2097; 19.9741; 90; 93.275; 90;

COD ID: 2021183

Formula: - C18 H30 Cu F5 N6 O Ta -
Comments: Sharko, Anastasiya V.; Erhart, Oliver; Krautscheid, Harald; Domasevitch, Kostiantyn V. Making an order: the concerted alignment of [MOF~5~]^2{-^} (M = Nb and Ta) dipolar anions in one-dimensional coordination chains sustained by tris(3,4,5-trimethyl-1H-pyrazole)copper(II) Acta Crystallographica Section C 74(8) (2018)
Space group: P 1 21/c 1
Cell volume: 2452.85
Cell parameters: 9.3367; 13.1541; 20.0036; 90; 93.232; 90;

COD ID: 2021184

Formula: - C45.042 H52.17 Cl2 F2 N8 O7 -
Comments: Angira, Deekshi; Shaik, Althaf; Kirubakaran, Sivapriya; Thiruvenkatam, Vijay Exploring a solvated dimer of Gefitinib: a quantitative analysis Acta Crystallographica Section C 74(8) (2018)
Space group: P -1
Cell volume: 2159.9
Cell parameters: 7.337; 10.991; 27.078; 98.241; 91.151; 91.244;

COD ID: 2021185

Formula: - Cs H12 Mn O10 P -
Comments: Kiriukhina, Galina V.; Yakubovich, Olga V.; Kochetkova, Ekaterina M.; Dimitrova, Olga V.; Volkov, Anatoliy S. A first Mn member in the struvite morphotropic series, CsMn(H~2~O)~6~(PO~4~): hydrothermal synthesis, crystal structure and interconnections within the family of related phosphates Acta Crystallographica Section C 74(8) (2018)
Space group: P 63 m c
Cell volume: 507.59
Cell parameters: 6.9809; 6.9809; 12.027; 90; 90; 120;

COD ID: 2021186

Formula: - C18 H20 Br3 Cd N5 O9 -
Comments: Zhang, Chong; Zhang, Kou-Lin Synthesis and characterization of two one-dimensional Cd^II^ coordination polymers (CPs) with 5-amino-2,4,6-tribromoisophthalic acid and flexible N-donor bipyridyl ligands Acta Crystallographica Section C 74(8) (2018)
Space group: P 1 21/c 1
Cell volume: 2554.4
Cell parameters: 7.9226; 19.1965; 17.2011; 90; 102.46; 90;

COD ID: 2021187

Formula: - C21 H30 Br3 Cd N5 O12 -
Comments: Zhang, Chong; Zhang, Kou-Lin Synthesis and characterization of two one-dimensional Cd^II^ coordination polymers (CPs) with 5-amino-2,4,6-tribromoisophthalic acid and flexible N-donor bipyridyl ligands Acta Crystallographica Section C 74(8) (2018)
Space group: P 1 21/c 1
Cell volume: 3036
Cell parameters: 17.7463; 8.6866; 21.9891; 90; 116.41; 90;

COD ID: 2021188

Formula: - C31 H32 Cd2 N4 O12 -
Comments: Li, Fenfang; Zhu, Miaoli; Lu, Liping A two-dimensional cadmium(II) coordination polymer constructed from 4-carboxy-1-(4-carboxylatobenzyl)-2-propyl-1H-imidazole-5-carboxylate and 1-(4-carboxylatobenzyl)-2-propyl-1H-imidazole-4-carboxylate ligands Acta Crystallographica Section C 74(8) (2018)
Space group: P 1 21/n 1
Cell volume: 3251
Cell parameters: 11.2716; 26.9672; 11.3809; 90; 109.986; 90;

COD ID: 2021189

Formula: - C22 H17 I2 N2 O0.5 S2 -
Comments: Rudakov, Boris V.; Stash, Adam I.; Makarov, Gennady I.; Matveychuk, Yury V.; Zherebtsov, Dmitry A.; Bartashevich, Ekaterina V. Why are reactions of 2- and 8-thioquinoline derivatives with iodine different? Acta Crystallographica Section C 74(8) (2018)
Space group: C 1 2/c 1
Cell volume: 4274.2
Cell parameters: 21.3218; 8.6006; 25.2773; 90; 112.768; 90;

COD ID: 2021190

Formula: - C22 H16 I4 N2 S2 -
Comments: Rudakov, Boris V.; Stash, Adam I.; Makarov, Gennady I.; Matveychuk, Yury V.; Zherebtsov, Dmitry A.; Bartashevich, Ekaterina V. Why are reactions of 2- and 8-thioquinoline derivatives with iodine different? Acta Crystallographica Section C 74(8) (2018)
Space group: P -1
Cell volume: 1298.61
Cell parameters: 8.409; 11.1793; 15.0322; 100.233; 105.798; 100.372;

COD ID: 2021191

Formula: - C8 H11 K O11 S Zn -
Comments: Silva, Flávia H.; Franco, Chris H. J.; Corrêa, Charlane C.; Diniz, Renata Synthesis, crystal structure and topological analysis of a three-dimensional polymeric network based on zinc(II), potassium and 5-sulfobenzene-1,3-dicarboxylate (SIP) Acta Crystallographica Section C 74(8) (2018)
Space group: P 1 21/n 1
Cell volume: 1340.73
Cell parameters: 6.7891; 16.7667; 11.7793; 90; 90.752; 90;

COD ID: 2021192
CIF file HKL data	Formula: - C12 H18 N2 O7 - Comments: Mao, Yimin; Zavalij, Peter Y. Two furan-2,5-dicarboxylic acid solvates crystallized from dimethylformamide and dimethyl sulfoxide Acta Crystallographica Section C 74(8) (2018) 986-990 Space group: P b c n Cell volume: 1515.9 Cell parameters: 7.5583; 12.7016; 15.7903; 90; 90; 90;

COD ID: 2021193
CIF file HKL data	Formula: - C8 H10 O6 S - Comments: Mao, Yimin; Zavalij, Peter Y. Two furan-2,5-dicarboxylic acid solvates crystallized from dimethylformamide and dimethyl sulfoxide Acta Crystallographica Section C 74(8) (2018) 986-990 Space group: P -1 Cell volume: 498.53 Cell parameters: 6.3129; 6.9099; 13.0901; 80.5164; 77.3664; 63.826;

COD ID: 2021194

Formula: - C13 H22 N O2 P S -
Comments: Torabi Farkhani, Elham; Pourayoubi, Mehrdad; Izadyar, Mohammad; Andreev, Pavel V.; Shchegravina, Ekaterina S. Evaluation of N—H···S and N—H···π interactions in O,O'-diethyl N-(2,4,6-trimethylphenyl)thiophosphate: a combination of X-ray crystallographic and theoretical studies Acta Crystallographica Section C 74(7) (2018) 847-855
Space group: P 1
Cell volume: 763.79
Cell parameters: 8.4954; 8.679; 10.7105; 100.366; 100.314; 90.093;

COD ID: 2021195

Formula: - C20 H12 Cl F N3 O4 Re -
Comments: Mark-Lee, Wun Fui; Chong, Yan Yi; Kassim, Mohammad B. Supramolecular structures of rhenium(I) complexes mediated by ligand planarity via the interplay of substituents Acta Crystallographica Section C 74(9) (2018)
Space group: P -1
Cell volume: 975.51
Cell parameters: 7.2479; 8.1177; 16.9716; 81.374; 86.946; 81.339;

COD ID: 2021196

Formula: - C23 H18 Cl N4 O7 Re -
Comments: Mark-Lee, Wun Fui; Chong, Yan Yi; Kassim, Mohammad B. Supramolecular structures of rhenium(I) complexes mediated by ligand planarity via the interplay of substituents Acta Crystallographica Section C 74(9) (2018)
Space group: P -1
Cell volume: 1270.78
Cell parameters: 7.9828; 12.0719; 14.456; 104.093; 99.708; 104.184;

COD ID: 2021197

Formula: - C11 H11 Br Cl N3 O2 S -
Comments: Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids Acta Crystallographica Section C 74(9) (2018)
Space group: P -1
Cell volume: 673
Cell parameters: 7.5237; 7.5739; 12.5089; 79.629; 79.596; 75.895;

COD ID: 2021198

Formula: - C11 H11 Cl2 N3 O2 S -
Comments: Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids Acta Crystallographica Section C 74(9) (2018)
Space group: P -1
Cell volume: 659.61
Cell parameters: 7.2182; 7.6364; 12.7516; 90.707; 102.629; 105.338;

COD ID: 2021199

Formula: - C13 H12 Cl3 N3 O2 -
Comments: Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids Acta Crystallographica Section C 74(9) (2018)
Space group: P -1
Cell volume: 738.12
Cell parameters: 7.3015; 7.506; 14.9665; 92.539; 98.522; 113.657;

COD ID: 2021200

Formula: - C13 H15 Cl N4 O2 -
Comments: Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids Acta Crystallographica Section C 74(9) (2018)
Space group: P 1 21/n 1
Cell volume: 1411.55
Cell parameters: 8.0965; 7.2427; 24.0738; 90; 90.831; 90;

COD ID: 2021201

Formula: - C12 H14 Cl N3 O2 S -
Comments: Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids Acta Crystallographica Section C 74(9) (2018)
Space group: P 1 21/c 1
Cell volume: 1371.9
Cell parameters: 8.273; 12.746; 13.32; 90; 102.39; 90;

COD ID: 2021202

Formula: - C13 H14 Cl N3 O2 -
Comments: Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids Acta Crystallographica Section C 74(9) (2018)
Space group: P 1 21/c 1
Cell volume: 1335.26
Cell parameters: 10.1421; 10.4218; 13.2681; 90; 107.804; 90;

COD ID: 2021203

Formula: - C14 H16 Cl N3 O2 -
Comments: Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids Acta Crystallographica Section C 74(9) (2018)
Space group: P 21 21 21
Cell volume: 2792.68
Cell parameters: 7.3992; 13.9842; 26.9897; 90; 90; 90;

COD ID: 2021204

Formula: - C14 H16 Cl N3 O2 -
Comments: Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids Acta Crystallographica Section C 74(9) (2018)
Space group: P b c n
Cell volume: 2858.72
Cell parameters: 8.4524; 13.5387; 24.9813; 90; 90; 90;

COD ID: 2021205

Formula: - C14 H16 Cl N3 O2 -
Comments: Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids Acta Crystallographica Section C 74(9) (2018)
Space group: P 1 21/c 1
Cell volume: 1434.8
Cell parameters: 8.0223; 13.6901; 13.3346; 90; 101.557; 90;

COD ID: 2021206

Formula: - C13 H15 Cl N4 O2 -
Comments: Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids Acta Crystallographica Section C 74(9) (2018)
Space group: P 1 21/c 1
Cell volume: 1364.4
Cell parameters: 7.8899; 13.2361; 13.3212; 90; 101.254; 90;

COD ID: 2021208

Formula: - C54 H31.42 Co3 N4 O14.71 -
Comments: Li, Shao-Dong; Lu, Li-Ping; Zhu, Miao-Li A thermally stable three-dimensional cobalt(II) coordination polymer based on the V-shaped ligand 4-(4-carboxyphenoxy)isophthalate Acta Crystallographica Section C 74(9) (2018)
Space group: C 1 2/c 1
Cell volume: 4822
Cell parameters: 18.889; 20.431; 13.36; 90; 110.73; 90;

COD ID: 2021209

Formula: - C38 H66 N2 O7 S -
Comments: Wu, Xiangxiang; Zeng, Huahui; Yang, Yunxia Composite host lattices of 4,4'-sulfonyldibenzoate water/boric acid in two tetrapropylammonium inclusion compounds Acta Crystallographica Section C 74(9) (2018)
Space group: P -1
Cell volume: 2045.83
Cell parameters: 9.2201; 9.3675; 24.2874; 96.303; 97.731; 97.049;

COD ID: 2021210

Formula: - C38 H70 B2 N2 O12 S -
Comments: Wu, Xiangxiang; Zeng, Huahui; Yang, Yunxia Composite host lattices of 4,4'-sulfonyldibenzoate water/boric acid in two tetrapropylammonium inclusion compounds Acta Crystallographica Section C 74(9) (2018)
Space group: P 1 21/c 1
Cell volume: 4512.1
Cell parameters: 25.184; 11.2494; 15.9615; 90; 93.796; 90;

COD ID: 2021211

Formula: - C16 H18 N4 O4 -
Comments: Badour, Alec R.; Arnett-Butscher, Corey J.; Mohanty, Dillip K.; Squattrito, Philip J.; Lambright, Kelly J.; Kirschbaum, Kristin Models for potential dendritic nitric oxide-donors: crystal structures of two 2-nitroanilino precursors and nitric oxide-release behavior of the nitrosated derivatives Acta Crystallographica Section C 74(9) (2018)
Space group: P -1
Cell volume: 748.34
Cell parameters: 6.7032; 8.1646; 15.1177; 81.099; 79.555; 67.488;

COD ID: 2021212

Formula: - C24 H27 N7 O6 -
Comments: Badour, Alec R.; Arnett-Butscher, Corey J.; Mohanty, Dillip K.; Squattrito, Philip J.; Lambright, Kelly J.; Kirschbaum, Kristin Models for potential dendritic nitric oxide-donors: crystal structures of two 2-nitroanilino precursors and nitric oxide-release behavior of the nitrosated derivatives Acta Crystallographica Section C 74(9) (2018)
Space group: P b c a
Cell volume: 4712.5
Cell parameters: 7.5749; 13.4138; 46.3793; 90; 90; 90;

COD ID: 2021213

Formula: - Na13 O36 P9 Sr2 Ta2 -
Comments: Zhao, Ji; Zhao, Dan; Xue, Ya-Li; Zhong, Qiu; Zhang, Shi-Rui; Liu, Bao-Zhong Novel tantalum phosphate Na~13~Sr~2~Ta~2~(PO~4~)~9~: synthesis, crystal structure, DFT calculations and Dy^3+^-activated fluorescence performance Acta Crystallographica Section C 74(9) (2018)
Space group: P 63/m
Cell volume: 1626.34
Cell parameters: 9.0062; 9.0062; 23.1525; 90; 90; 120;

COD ID: 2021214

Formula: - C28 H20 N2 O4 Zn -
Comments: Zhou, Qian-Kun; Wang, Lin; Xu, Yun; Li, Ni-Ya Construction and photoluminescence properties of a three-dimensional Zn^II^ coordination network based on naphthalene-1,4-dicarboxylic acid and 1,6-bis(pyridin-3-yl)-1,3,5-hexatriene Acta Crystallographica Section C 74(9) (2018) 1053-1057
Space group: P 1 21/c 1
Cell volume: 2320.8
Cell parameters: 11.16; 12.917; 18.551; 90; 119.79; 90;

COD ID: 2021215

Formula: - C8 H14 N2 O2 -
Comments: García-Reyes, Fernando; Fantoni, Adolfo C.; Barón, Máximo; Romano, Rosana M.; Punte, Graciela M.; Echeverría, Gustavo A. Role of weak C—H···O and strong N—H···O intermolecular interactions on the high-symmetry molecular packing of trans-cyclohexane-1,4-dicarboxamide Acta Crystallographica Section C 74(10) (2018) 1068-1078
Space group: P 43 21 2
Cell volume: 915.02
Cell parameters: 6.9584; 6.9584; 18.8979; 90; 90; 90;

COD ID: 2021216

Formula: - C30 H49 As2 Mo6 N5 O30 -
Comments: Harchani, Ali; Trzybiński, Damian; Pawledzio, Sylwia; Woźniak, Krzysztof; Haddad, Amor The new heteropolyoxometalate compound (C~6~H~8~N)~5~[HAs~2~Mo~6~O~26~(H~2~O)]·3H~2~O: crystal structure and Hirshfeld surface analysis Acta Crystallographica Section C 74(10) (2018) 1088-1093
Space group: P 1 21/c 1
Cell volume: 4989.71
Cell parameters: 14.1301; 15.4385; 23.1563; 90; 98.9698; 90;

COD ID: 2021217

Formula: - C18 H17 N3 O4 S -
Comments: Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions Acta Crystallographica Section C 74(10) (2018) 1094-1104
Space group: P 1 21/c 1
Cell volume: 1817.2
Cell parameters: 20.344; 9.6384; 9.443; 90; 101.06; 90;

COD ID: 2021218

Formula: - C19 H18 Br N3 O5 S -
Comments: Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions Acta Crystallographica Section C 74(10) (2018) 1094-1104
Space group: P 1 21/c 1
Cell volume: 2093.7
Cell parameters: 13.6043; 12.2399; 12.9506; 90; 103.854; 90;

COD ID: 2021219

Formula: - C14 H12 Br N O3 -
Comments: Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions Acta Crystallographica Section C 74(10) (2018) 1094-1104
Space group: P 1 21/c 1
Cell volume: 1287.6
Cell parameters: 13.297; 15.095; 6.4166; 90; 91.329; 90;

COD ID: 2021220

Formula: - C15 H14 Br N O3 -
Comments: Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions Acta Crystallographica Section C 74(10) (2018) 1094-1104
Space group: P -1
Cell volume: 706.28
Cell parameters: 6.4158; 7.3886; 15.2636; 87.081; 87.488; 77.948;

COD ID: 2021221

Formula: - C15 H15 N O3 -
Comments: Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions Acta Crystallographica Section C 74(10) (2018) 1094-1104
Space group: P c a 21
Cell volume: 1339.6
Cell parameters: 23.689; 7.6951; 7.3488; 90; 90; 90;

COD ID: 2021222

Formula: - C22 H18 F N O2 S -
Comments: Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions Acta Crystallographica Section C 74(10) (2018) 1094-1104
Space group: P 1 21/n 1
Cell volume: 1837.3
Cell parameters: 9.5004; 14.2911; 13.6497; 90; 97.524; 90;

COD ID: 2021223

Formula: - C22 H19 N O2 S -
Comments: Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions Acta Crystallographica Section C 74(10) (2018) 1094-1104
Space group: P 1 21/n 1
Cell volume: 1793.97
Cell parameters: 9.26395; 14.2886; 13.6476; 90; 96.7581; 90;

COD ID: 2021224

Formula: - C13 H11 N O2 -
Comments: Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions Acta Crystallographica Section C 74(10) (2018) 1094-1104
Space group: P -1
Cell volume: 1034.62
Cell parameters: 9.0479; 10.1564; 12.3659; 69.677; 89.94; 77.004;

COD ID: 2021226

Formula: - C8 H7 Cd N2 O6 -
Comments: Liu, Yan-Ju; Cheng, Di; Li, Ya-Xue; Zhang, Jun-Di; Yang, Huai-Xia A new one-dimensional Cd^II^ coordination polymer incorporating 2,2'-(1,2-phenylene)bis(1H-imidazole-4,5-dicarboxylate) Acta Crystallographica Section C 74(10) (2018) 1128-1132
Space group: P 1 21/m 1
Cell volume: 984.8
Cell parameters: 6.934; 15.213; 9.6882; 90; 105.496; 90;

COD ID: 2021227

Formula: - C15 H13 N O6 Re2 S3 -
Comments: Nkoe, Pheello I.; Visser, Hendrik G.; Swart, Chantel; Brink, Alice; Schutte-Smith, Marietjie Synthesis of Re^I^ tricarbonyl complexes with various sulfur- and oxygen-donating ligands: crystal structures of two Re^I^ dinuclear structures bridged by S atoms Acta Crystallographica Section C 74(10) (2018) 1116-1122
Space group: P -1
Cell volume: 1945.8
Cell parameters: 9.446; 14.885; 15.91; 104.676; 106.554; 104.43;

COD ID: 2021228

Formula: - C35 H41 N O9 Re2 S3 -
Comments: Nkoe, Pheello I.; Visser, Hendrik G.; Swart, Chantel; Brink, Alice; Schutte-Smith, Marietjie Synthesis of Re^I^ tricarbonyl complexes with various sulfur- and oxygen-donating ligands: crystal structures of two Re^I^ dinuclear structures bridged by S atoms Acta Crystallographica Section C 74(10) (2018) 1116-1122
Space group: C 1 c 1
Cell volume: 3943.9
Cell parameters: 12.712; 17.105; 18.144; 90; 91.47; 90;

COD ID: 2021229

Formula: - C42 H36 La N3 O6 -
Comments: Roitershtein, Dmitrii M.; Minashina, Kseniya I.; Minyaev, Mikhail E.; Ananyev, Ivan V.; Lyssenko, Konstantin A.; Tavtorkin, Alexander N.; Nifant'ev, Ilya E. Different coordination modes of trans-2-{[(2-methoxyphenyl)imino]methyl}phenoxide in rare-earth complexes: influence of the metal cation radius and the number of ligands on steric congestion and ligand coordination modes Acta Crystallographica Section C 74(10) (2018) 1105-1115
Space group: P -1
Cell volume: 1826
Cell parameters: 8.0705; 12.588; 19.096; 79.209; 86.351; 73.384;

COD ID: 2021230

Formula: - C50 H52 N3 Nd O8 -
Comments: Roitershtein, Dmitrii M.; Minashina, Kseniya I.; Minyaev, Mikhail E.; Ananyev, Ivan V.; Lyssenko, Konstantin A.; Tavtorkin, Alexander N.; Nifant'ev, Ilya E. Different coordination modes of trans-2-{[(2-methoxyphenyl)imino]methyl}phenoxide in rare-earth complexes: influence of the metal cation radius and the number of ligands on steric congestion and ligand coordination modes Acta Crystallographica Section C 74(10) (2018) 1105-1115
Space group: P -1
Cell volume: 2194.4
Cell parameters: 11.1951; 14.8767; 15.1894; 69.758; 74.797; 69.502;

COD ID: 2021231