Crystallography Open Database

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2020878 CIF
HKL
Paper
C24 H12 Cl2 Cu N8 S2C 1 2/c 18.181; 12.168; 22.99
90; 92.197; 90
2286.9Bhat, Satish S.; Revankar, Vidyanand K.; Kumbar, Vijay; Bhat, Kishore; Kawade, Vitthal A.
Synthesis, crystal structure and biological properties of a <i>cis</i>-dichloridobis(diimine)copper(II) complex
Acta Crystallographica Section C, 2018, 74
2020879 CIF
HKL
Paper
C36 H75 Cl2 Fe7 N6 O26P a -322.0884; 22.0884; 22.0884
90; 90; 90
10776.9van 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, 2018, 74
2020880 CIF
HKL
Paper
C22 H24 Mn N10 O4P -15.9328; 10.245; 10.853
105.33; 103.2; 94
613.4Lin, 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, 2018, 74
2020881 CIF
HKL
Paper
C40 H36 N20 O6 Pb2P 1 21/c 19.1343; 14.26; 16.985
90; 91.3; 90
2211.8Lin, 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, 2018, 74
2020882 CIF
HKL
Paper
C60 H48 Cd3 N30 O6C 1 2/c 120.035; 13.401; 25.119
90; 106.58; 90
6464Lin, 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, 2018, 74
2020883 CIF
HKL
Paper
C14 H14 Ca O8C 1 2/c 116.4233; 11.5002; 7.6203
90; 91.914; 90
1438.5Allan, 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, 2018, 74
2020884 CIF
HKL
Paper
C14 H14 Ca0.96 O8 Sr0.04C 1 2/c 116.4335; 11.4974; 7.6301
90; 91.778; 90
1440.96Allan, 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, 2018, 74
2020885 CIF
HKL
Paper
C14 H14 Ca0.92 O8 Sr0.08C 1 2/c 116.4344; 11.4853; 7.6417
90; 91.785; 90
1441.7Allan, 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, 2018, 74
2020886 CIF
HKL
Paper
C14 H14 Ca0.83 O8 Sr0.17C 1 2/c 116.4921; 11.5345; 7.6679
90; 91.838; 90
1457.9Allan, 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, 2018, 74
2020887 CIF
HKL
Paper
C14 H14 Ca0.69 O8 Sr0.31C 1 2/c 116.5626; 11.4921; 7.7041
90; 91.588; 90
1465.8Allan, 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, 2018, 74
2020888 CIF
HKL
Paper
C14 H14 Ca0.47 O8 Sr0.53C 1 2/c 116.5994; 11.4832; 7.765
90; 91.555; 90
1479.57Allan, 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, 2018, 74
2020889 CIF
HKL
Paper
C14 H14 Ca0.37 O8 Sr0.63C 1 2/c 116.6319; 11.4995; 7.7729
90; 91.599; 90
1486.05Allan, 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, 2018, 74
2020890 CIF
HKL
Paper
C14 H14 Ca0.21 O8 Sr0.79C 1 2/c 116.665; 11.4816; 7.8105
90; 91.576; 90
1493.9Allan, 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, 2018, 74
2020891 CIF
HKL
Paper
C14 H14 Ca0.17 O8 Sr0.83C 1 2/c 116.6693; 11.4865; 7.8446
90; 91.51; 90
1501.5Allan, 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, 2018, 74
2020892 CIF
HKL
Paper
C14 H14 O8 SrC 1 2/c 116.7182; 11.4644; 7.8627
90; 91.66; 90
1506.37Allan, 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, 2018, 74
2020893 CIF
HKL
Paper
C14 H14 Ba0.27 O8 Sr0.73C 1 2/c 116.8381; 11.4349; 7.9433
90; 91.28; 90
1529.04Allan, 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, 2018, 74
2020894 CIF
HKL
Paper
C3 H14 N10 O6P c c n12.6989; 13.0236; 14.1585
90; 90; 90
2341.61Buvaylo, 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, 2018, 74
2020895 CIF
HKL
Paper
C2 H10 Cl4 Cu N6P n n a8.4242; 10.0515; 13.1557
90; 90; 90
1113.97Buvaylo, 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, 2018, 74
2020942 CIF
HKL
Paper
C12 H10 Cd N6 O6C 1 2/c 120.0932; 7.1128; 10.4548
90; 96.857; 90
1483.5Meng, 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(1<i>H</i>-1,2,4-triazol-1-yl)terephthalate
Acta Crystallographica Section C, 2018, 74
2020943 CIF
HKL
Paper
C28 H28 N2 O2P 1 21/c 123.3641; 10.0825; 21.4524
90; 115.885; 90
4546.5Acosta 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, (3<i>RS</i>)-4-(2-allyl-3,5-dimethylphenyl)-1-benzyl-3-phenylpiperazine-2,5-dione
Acta Crystallographica Section C, 2018, 74
2020944 CIF
HKL
Paper
C22 H14 N4P 1 21/n 13.761; 13.2538; 18.8657
90; 91.226; 90
940.19Sun, 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, 2018, 74
2020945 CIF
HKL
C42 H35 Ag4 N6 O9.5 S8.5P -113.771; 13.9822; 14.7181
81.074; 79.523; 73.152
2651.24Dennehy, 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, 2018, 74
2020946 CIFC7 H13 N O8P -14.9216; 8.5949; 12.1187
108.61; 97.243; 92.752
479.82Losev, Evgeniy; Boldyreva, Elena
The effect of amino acid backbone length on molecular packing: crystalline tartrates of glycine, β-alanine, γ-aminobutyric acid (GABA) and <small>DL</small>-α-aminobutyric acid (AABA)
Acta Crystallographica Section C, 2018, 74
2020947 CIFC8 H15 N O8P -14.9336; 10.0324; 11.3232
103.464; 94.31; 99.766
533.29Losev, Evgeniy; Boldyreva, Elena
The effect of amino acid backbone length on molecular packing: crystalline tartrates of glycine, β-alanine, γ-aminobutyric acid (GABA) and <small>DL</small>-α-aminobutyric acid (AABA)
Acta Crystallographica Section C, 2018, 74
2020948 CIF
HKL
Paper
C152 H110 Cd5 N14 O30 S10P -114.444; 17.342; 19.351
68.318; 70.484; 75.994
4206.4Ji, 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, 2018, 74
2020949 CIF
HKL
Paper
C20 H16 Cl N O2 SP 1 21/c 19.7868; 13.9567; 13.3764
90; 101.816; 90
1788.4Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher
Synthesis and structures of six closely related <i>N</i>-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order <i>versus</i> disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions
Acta Crystallographica Section C, 2018, 74
2020950 CIF
HKL
Paper
C26 H20 Cl N O2 SP 1 21/c 110.7264; 9.1208; 22.9103
90; 94.414; 90
2234.7Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher
Synthesis and structures of six closely related <i>N</i>-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order <i>versus</i> disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions
Acta Crystallographica Section C, 2018, 74
2020951 CIF
HKL
Paper
C20 H15 Br Cl N O2 SC 1 2/c 118.8096; 11.5021; 19.9112
90; 118.03; 90
3802.5Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher
Synthesis and structures of six closely related <i>N</i>-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order <i>versus</i> disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions
Acta Crystallographica Section C, 2018, 74
2020952 CIF
HKL
Paper
C20 H15 Cl I N O2 SP 1 21/n 18.1813; 11.8276; 20.1347
90; 94.388; 90
1942.6Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher
Synthesis and structures of six closely related <i>N</i>-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order <i>versus</i> disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions
Acta Crystallographica Section C, 2018, 74
2020953 CIF
HKL
Paper
C21 H18 Cl N O3 SP -17.4798; 11.4237; 12.0933
105.814; 101.959; 99.187
946.66Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher
Synthesis and structures of six closely related <i>N</i>-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order <i>versus</i> disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions
Acta Crystallographica Section C, 2018, 74
2020954 CIF
HKL
Paper
C20 H14 Cl F2 N O2 SC 1 2/c 158.0164; 7.8002; 16.1365
90; 92.105; 90
7297.5Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher
Synthesis and structures of six closely related <i>N</i>-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order <i>versus</i> disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions
Acta Crystallographica Section C, 2018, 74
2020955 CIF
HKL
Paper
C15 H13 N3 O4P -18.1296; 9.5899; 10.8824
66.84; 71.533; 71.35
721.1Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher
Synthesis and structures of six closely related <i>N</i>-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order <i>versus</i> disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions
Acta Crystallographica Section C, 2018, 74
2020956 CIF
Paper
Cl H4 Li O2P 1 21/c 16.0838; 9.3592; 6.0632
90; 113.543; 90
316.5Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang
Higher hydrates of lithium chloride, lithium bromide and lithium iodide
Acta Crystallographica Section C, 2018, 74
2020957 CIF
Paper
Br H4 Li O2P -15.3001; 6.397; 6.406
63.694; 82.044; 65.567
177Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang
Higher hydrates of lithium chloride, lithium bromide and lithium iodide
Acta Crystallographica Section C, 2018, 74
2020958 CIF
Paper
H4 I Li O2P -15.454; 6.842; 6.97
61.9; 80.72; 67.02
211.1Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang
Higher hydrates of lithium chloride, lithium bromide and lithium iodide
Acta Crystallographica Section C, 2018, 74
2020959 CIF
Paper
Cl H6 Li O3C m c m7.1626; 10.351; 5.6038
90; 90; 90
415.47Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang
Higher hydrates of lithium chloride, lithium bromide and lithium iodide
Acta Crystallographica Section C, 2018, 74
2020960 CIF
Paper
Br H6 Li O3C m c m7.2785; 11.088; 5.687
90; 90; 90
459Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang
Higher hydrates of lithium chloride, lithium bromide and lithium iodide
Acta Crystallographica Section C, 2018, 74
2020961 CIF
Paper
H6 I Li O3P 63/m m c7.461; 7.461; 5.459
90; 90; 120
263.17Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang
Higher hydrates of lithium chloride, lithium bromide and lithium iodide
Acta Crystallographica Section C, 2018, 74
2020962 CIF
Paper
Cl H10 Li O5P -16.247; 9.232; 11.677
88.34; 77.53; 70.77
620.2Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang
Higher hydrates of lithium chloride, lithium bromide and lithium iodide
Acta Crystallographica Section C, 2018, 74
2020963 CIF
Paper
Br H10 Li O5P -16.353; 9.453; 11.954
89.15; 77.53; 71.69
664.4Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang
Higher hydrates of lithium chloride, lithium bromide and lithium iodide
Acta Crystallographica Section C, 2018, 74
2020964 CIF
HKL
Paper
C26 H14 Fe2 O6 S2P -110.1425; 16.1771; 24.5865
106.98; 99.453; 96.998
3743.7Mebi, Charles; Gerasimchuk, Nikolay; Labrecque, Jordan
Crystal and electronic structure of a hexacarbonyldiiron cluster tethered to naphthalene-2-thiolate ligands
Acta Crystallographica Section C, 2018, 74
2020965 CIF
HKL
Paper
C27 H24 N2 O2P b c a18.4485; 11.6452; 19.5931
90; 90; 90
4209.31Han, 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, 2018, 74
2020966 CIF
HKL
C30 H36 N2 Ni O9 SP 1 21/c 110.281; 23.5073; 12.3557
90; 95.674; 90
2971.48Han, 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, 2018, 74
2020967 CIF
HKL
Paper
C20 H23 Cl N4 O5P -19.0137; 10.608; 11.8132
84.941; 85.798; 69.408
1052.18Faroque, 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, 2018, 74, 100-107
2020968 CIF
HKL
Paper
C22 H18 F N O2 SP 1 21/c 115.9489; 7.2739; 15.9222
90; 95.813; 90
1837.6Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher
Four closely related <i>N</i>-(3-benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-2-yl)benzamides: order <i>versus</i> 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[<i>b</i>]thiophene
Acta Crystallographica Section C, 2018, 74, 45-53
2020969 CIF
HKL
Paper
C22 H18 Cl N O2 SP 1 21/n 111.6776; 14.2461; 12.2957
90; 109.336; 90
1930.13Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher
Four closely related <i>N</i>-(3-benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-2-yl)benzamides: order <i>versus</i> 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[<i>b</i>]thiophene
Acta Crystallographica Section C, 2018, 74, 45-53
2020970 CIF
HKL
Paper
C22 H17 F2 N O2 SP -17.6718; 9.8833; 13.5925
104.925; 95.476; 103.633
954.32Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher
Four closely related <i>N</i>-(3-benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-2-yl)benzamides: order <i>versus</i> 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[<i>b</i>]thiophene
Acta Crystallographica Section C, 2018, 74, 45-53
2020971 CIF
HKL
Paper
C23 H21 N O3 SP -18.5129; 12.923; 19.031
96.811; 102.665; 105.321
1935.1Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher
Four closely related <i>N</i>-(3-benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-2-yl)benzamides: order <i>versus</i> 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[<i>b</i>]thiophene
Acta Crystallographica Section C, 2018, 74, 45-53
2020972 CIF
HKL
Paper
C15 H15 N O SP n a 219.208; 14.0485; 10.3826
90; 90; 90
1343.08Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher
Four closely related <i>N</i>-(3-benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-2-yl)benzamides: order <i>versus</i> 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[<i>b</i>]thiophene
Acta Crystallographica Section C, 2018, 74, 45-53
2020973 CIF
HKL
C13 H18 N10 O SP -17.7255; 9.1381; 12.4594
92.241; 104.034; 97.248
844.3Hützler, Wilhelm Maximilian; Bolte, Michael
Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine
Acta Crystallographica Section C, 2018, 74, 21-30
2020974 CIF
HKL
C21 H31 N13 O3 S2C 1 c 110.0743; 14.383; 18.647
90; 100.427; 90
2657.3Hützler, Wilhelm Maximilian; Bolte, Michael
Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine
Acta Crystallographica Section C, 2018, 74, 21-30
2020975 CIF
HKL
C15.5 H18.5 N7.5 O1.5 SP 1 21/n 111.1237; 19.5259; 16.7313
90; 100.9; 90
3568.5Hützler, Wilhelm Maximilian; Bolte, Michael
Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine
Acta Crystallographica Section C, 2018, 74, 21-30
2020976 CIF
HKL
C21 H31 N13 O5 S2C 1 2/c 122.573; 9.1593; 13.9211
90; 98.701; 90
2845.1Hützler, Wilhelm Maximilian; Bolte, Michael
Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine
Acta Crystallographica Section C, 2018, 74, 21-30
2020977 CIF
HKL
C22 H33 N13 O5 S2C 1 2/c 123.53; 8.7478; 14.2006
90; 102.037; 90
2858.7Hützler, Wilhelm Maximilian; Bolte, Michael
Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine
Acta Crystallographica Section C, 2018, 74, 21-30
2020978 CIF
HKL
C21 H30 N18 O3 S3R -317.6827; 17.6827; 16.4925
90; 90; 120
4466Hützler, Wilhelm Maximilian; Bolte, Michael
Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine
Acta Crystallographica Section C, 2018, 74, 21-30
2020979 CIF
HKL
Paper
C28 H44 N2P 1 21/n 112.992; 12.399; 23.385
90; 92.81; 90
3763Dolinar, 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, 2018, 74, 54-61
2020980 CIF
HKL
Paper
C51 H42 Cu3 F6 I2 N3 P4P 1 21/n 118.931; 12.4391; 21.78
90; 98.012; 90
5078.8Zhu, 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, 2018, 74, 62-68
2020981 CIFC16 H14 N2 O4 SP -16.9783; 9.7631; 11.8912
78.365; 74.458; 81.063
760.07Sevinçek, Resul; Barut Celepci, Duygu; Köktaş Koca, Serap; Akgül, Özlem; Aygün, Muittin
Substituent position effect on the crystal structures of <i>N</i>-phenyl-2-phthalimidoethanesulfonamide derivatives
Acta Crystallographica Section C, 2018, 74, 31-36
2020982 CIFC16 H13 N3 O6 SP -17.1547; 10.4322; 11.8228
100.106; 104.043; 102.278
812.14Sevinçek, Resul; Barut Celepci, Duygu; Köktaş Koca, Serap; Akgül, Özlem; Aygün, Muittin
Substituent position effect on the crystal structures of <i>N</i>-phenyl-2-phthalimidoethanesulfonamide derivatives
Acta Crystallographica Section C, 2018, 74, 31-36
2020983 CIFC17 H16 N2 O5 SP 1 21/n 110.9408; 7.2555; 21.1923
90; 99.838; 90
1657.5Sevinçek, Resul; Barut Celepci, Duygu; Köktaş Koca, Serap; Akgül, Özlem; Aygün, Muittin
Substituent position effect on the crystal structures of <i>N</i>-phenyl-2-phthalimidoethanesulfonamide derivatives
Acta Crystallographica Section C, 2018, 74, 31-36
2020984 CIFC18 H20 N2 O5 SP 1 21/c 115.356; 7.4014; 25.061
90; 141.36; 90
1778.6Sevinçek, Resul; Barut Celepci, Duygu; Köktaş Koca, Serap; Akgül, Özlem; Aygün, Muittin
Substituent position effect on the crystal structures of <i>N</i>-phenyl-2-phthalimidoethanesulfonamide derivatives
Acta Crystallographica Section C, 2018, 74, 31-36
2020985 CIF
HKL
Paper
C30 H38 N10 O5 ZnP -18.7481; 11.9399; 16.4168
84.921; 88.623; 71.161
1616.51Liu, 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, 2018, 74, 13-20
2020986 CIF
HKL
C26 H30 N16 ZnP -17.087; 13.7109; 15.2483
84.36; 83.99; 82.531
1455.62Liu, 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, 2018, 74, 13-20
2020987 CIF
HKL
Paper
C6 H11 N O5 SP 1 21/n 111.3338; 5.765; 13.9048
90; 110.371; 90
851.71Langenstück, Stefanie; Zhao, Chenchen; Englert, Ulli
The ephemeral dihydrate of sulfanilic acid
Acta Crystallographica Section C, 2018, 74, 7-12
2020988 CIF
HKL
Paper
C30 H38 N6 O10 S4P -18.5763; 9.7305; 11.4194
111.379; 108.656; 93.04
825.08Som, 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, 2018, 74, 75-81
2020989 CIF
HKL
Paper
C28 H32 N6 O9 S3P 1 21/n 18.9076; 25.5878; 13.6411
90; 105.644; 90
2994Som, 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, 2018, 74, 75-81
2020990 CIF
HKL
Paper
C16 H16 Cl N3P b c m8.8317; 24.261; 6.9706
90; 90; 90
1493.6Macías, Mario A.; Castillo, Juan-Carlos; Portilla, Jaime
A series of (<i>E</i>)-5-(arylideneamino)-1-<i>tert</i>-butyl-1<i>H</i>-pyrrole-3-carbonitriles and their reduction products to secondary amines: syntheses and X-ray structural studies
Acta Crystallographica Section C, 2018, 74, 82-93
2020991 CIF
HKL
Paper
C16 H15 Cl2 N3P 1 21/c 16.5428; 7.9586; 30.415
90; 92.987; 90
1581.6Macías, Mario A.; Castillo, Juan-Carlos; Portilla, Jaime
A series of (<i>E</i>)-5-(arylideneamino)-1-<i>tert</i>-butyl-1<i>H</i>-pyrrole-3-carbonitriles and their reduction products to secondary amines: syntheses and X-ray structural studies
Acta Crystallographica Section C, 2018, 74, 82-93
2020992 CIF
HKL
Paper
C15 H16 N4P -18.1494; 9.0629; 9.4859
92.465; 97.113; 97.136
688.61Macías, Mario A.; Castillo, Juan-Carlos; Portilla, Jaime
A series of (<i>E</i>)-5-(arylideneamino)-1-<i>tert</i>-butyl-1<i>H</i>-pyrrole-3-carbonitriles and their reduction products to secondary amines: syntheses and X-ray structural studies
Acta Crystallographica Section C, 2018, 74, 82-93
2020993 CIF
HKL
Paper
C16 H18 Cl N3P 1 21/c 18.2422; 9.2361; 20.623
90; 98.521; 90
1552.6Macías, Mario A.; Castillo, Juan-Carlos; Portilla, Jaime
A series of (<i>E</i>)-5-(arylideneamino)-1-<i>tert</i>-butyl-1<i>H</i>-pyrrole-3-carbonitriles and their reduction products to secondary amines: syntheses and X-ray structural studies
Acta Crystallographica Section C, 2018, 74, 82-93
2020994 CIF
HKL
Paper
C16 H17 Cl2 N3P -18.97; 9.3244; 10.4645
105.057; 103.589; 95.078
811Macías, Mario A.; Castillo, Juan-Carlos; Portilla, Jaime
A series of (<i>E</i>)-5-(arylideneamino)-1-<i>tert</i>-butyl-1<i>H</i>-pyrrole-3-carbonitriles and their reduction products to secondary amines: syntheses and X-ray structural studies
Acta Crystallographica Section C, 2018, 74, 82-93
2020995 CIF
HKL
Paper
C5 H6 Cl N5 OP 1 21/c 114.0359; 13.693; 7.7026
90; 92.754; 90
1478.68Budniak, Urszula Anna; Dominiak, Paulina Maria
Molecular tapes in the structure of isoguaninium chloride
Acta Crystallographica Section C, 2018, 74, 108-112
2020996 CIF
HKL
Paper
C56 H36 Cd Cl14 N8 O16P 1 21 113.8485; 15.0536; 16.6819
90; 109.395; 90
3280.3Liu, 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, 2018, 74, 94-99
2020998 CIF
HKL
Paper
C30 H22 Ca N2 O4P b c n27.0933; 11.2988; 7.8989
90; 90; 90
2418.03Bendjellal, 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, 2018, 74
2020999 CIF
HKL
Paper
C30 H22 Ba N2 O4R -3 :H36.4542; 36.4542; 10.3535
90; 90; 120
11915.5Bendjellal, 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, 2018, 74
2021000 CIF
HKL
Paper
F12 Hf2 Sr2P 1 21/c 15.9762; 5.9949; 14.426
90; 99.36; 90
509.96Laval, 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, 2018, 74
2021002 CIF
HKL
Paper
C13 H15 Cu N3 O8P 1 21/c 110.8492; 14.2931; 9.8604
90; 109.543; 90
1440.95Klongdee, 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 <i>N</i>,<i>N</i>'-ditopic cations
Acta Crystallographica Section C, 2018, 74
2021003 CIF
HKL
Paper
C16 H14 Cu N2 O8P -13.8486; 10.238; 10.608
109.382; 95.641; 97.93
385.85Klongdee, 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 <i>N</i>,<i>N</i>'-ditopic cations
Acta Crystallographica Section C, 2018, 74
2021004 CIF
HKL
Paper
Bi8.27 Ca11 In1.73I 4/m m m12.3534; 12.3534; 17.433
90; 90; 90
2660.4Ovchinnikov, 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, 2018, 74
2021005 CIF
HKL
C18 H26.48 N2 O9.24C 2 2 2116.3993; 12.5755; 21.2196
90; 90; 90
4376.1Veselovsky, 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, 2018, 74
2021006 CIF
HKL
C18 H26.16 N2 O9.08P 2 2 2116.4332; 12.3817; 21.3581
90; 90; 90
4345.8Veselovsky, 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, 2018, 74
2021007 CIF
HKL
C13 H14 N2 O5C 2 2 217.622; 18.818; 17.4277
90; 90; 90
2499.7Veselovsky, 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, 2018, 74
2021008 CIF
HKL
C13 H14 N2 O5P 21 21 2117.4407; 9.7795; 7.0567
90; 90; 90
1203.6Veselovsky, 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, 2018, 74
2021009 CIF
HKL
Paper
C12 H16 O5P -17.8601; 8.2489; 10.7883
81.538; 72.352; 61.93
588.15Nestler, Robert; Schwarzer, Anke; Gruber, Tobias
Different supramolecular interactions mediated by Br atoms in the crystal structures of three anisole derivatives
Acta Crystallographica Section C, 2018, 74
2021010 CIF
HKL
Paper
C9 H11 Br O3P n a 2113.1596; 16.2514; 4.4735
90; 90; 90
956.71Nestler, Robert; Schwarzer, Anke; Gruber, Tobias
Different supramolecular interactions mediated by Br atoms in the crystal structures of three anisole derivatives
Acta Crystallographica Section C, 2018, 74
2021011 CIF
HKL
Paper
C9 H9 Br3 OC 1 2/c 133.315; 4.3913; 15.9655
90; 110.142; 90
2192.8Nestler, Robert; Schwarzer, Anke; Gruber, Tobias
Different supramolecular interactions mediated by Br atoms in the crystal structures of three anisole derivatives
Acta Crystallographica Section C, 2018, 74
2021012 CIF
HKL
Paper
Au1.23 In0.93 Pd1.84P m -3 m4.034; 4.034; 4.034
90; 90; 90
65.646Ptashkina, 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, 2018, 74
2021013 CIF
HKL
Paper
Au1.23 In0.93 Pd1.84P m -3 m4.034; 4.034; 4.034
90; 90; 90
65.646Ptashkina, 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, 2018, 74
2021014 CIF
HKL
Paper
Au1.49 In0.89 Pd1.62P m -3 m4.0408; 4.0408; 4.0408
90; 90; 90
65.98Ptashkina, 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, 2018, 74
2021015 CIF
HKL
Paper
Au1.49 In0.89 Pd1.62P m -3 m4.0408; 4.0408; 4.0408
90; 90; 90
65.98Ptashkina, 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, 2018, 74
2021016 CIF
HKL
Paper
Au1.77 In0.86 Pd1.37P m -3 m4.0538; 4.0538; 4.0538
90; 90; 90
66.62Ptashkina, 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, 2018, 74
2021017 CIF
HKL
Paper
Au1.77 In0.86 Pd1.37P m -3 m4.0538; 4.0538; 4.0538
90; 90; 90
66.62Ptashkina, 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, 2018, 74
2021018 CIF
HKL
Paper
C64 H77 N3 O14P 21 21 2113.0034; 14.0829; 31.479
90; 90; 90
5764.6Gonçalves, 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, 2018, 74
2021019 CIF
HKL
Paper
C44 H56 N2 O9P 21 21 2112.5992; 13.1093; 26.6586
90; 90; 90
4403.11Gonçalves, 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, 2018, 74
2021020 CIF
HKL
C17 H17 Cl O6P 21 21 2111.7625; 12.00313; 24.2755
90; 90; 90
3427.38Mahieu, 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, 2018, 74
2021021 CIF
HKL
Paper
C10 H11 Cl N4 O4P c c n19.5314; 12.7103; 9.8189
90; 90; 90
2437.5Swinton 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, 2018, 74
2021022 CIF
HKL
Paper
C5 H8 Br N3 O5 SP 1 21/c 116.1671; 4.8786; 12.0863
90; 96.026; 90
948.01Swinton 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, 2018, 74
2021023 CIF
HKL
Paper
C22 H24 N4P b c a11.202; 16.609; 19.85
90; 90; 90
3693.2Acosta Quintero, Lina M.; Burgos, Isidro; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
A concise, efficient and versatile synthesis of amino-substituted benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepines: synthesis and spectroscopic characterization, together with the molecular and supramolecular structures of three products and one intermediate
Acta Crystallographica Section C, 2018, 74
2021024 CIF
HKL
Paper
C22 H21 N5P 1 21/c 19.425; 11.184; 17.321
90; 101.091; 90
1791.7Acosta Quintero, Lina M.; Burgos, Isidro; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
A concise, efficient and versatile synthesis of amino-substituted benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepines: synthesis and spectroscopic characterization, together with the molecular and supramolecular structures of three products and one intermediate
Acta Crystallographica Section C, 2018, 74
2021025 CIF
HKL
Paper
C21 H19.748 N5 O0.374P 1 21/c 111.1086; 8.7806; 17.7753
90; 103.651; 90
1684.83Acosta Quintero, Lina M.; Burgos, Isidro; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
A concise, efficient and versatile synthesis of amino-substituted benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepines: synthesis and spectroscopic characterization, together with the molecular and supramolecular structures of three products and one intermediate
Acta Crystallographica Section C, 2018, 74
2021026 CIF
HKL
Paper
C24 H25 N5P -19.7866; 10.2122; 10.9551
97.816; 112.433; 94.149
993.4Acosta Quintero, Lina M.; Burgos, Isidro; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
A concise, efficient and versatile synthesis of amino-substituted benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepines: synthesis and spectroscopic characterization, together with the molecular and supramolecular structures of three products and one intermediate
Acta Crystallographica Section C, 2018, 74
2021027 CIF
HKL
Paper
Cl4 ZrP c a 216.2199; 7.3301; 11.9153
90; 90; 90
543.25Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic
Zirconium tetrachloride revisited
Acta Crystallographica Section C, 2018, 74
2021028 CIF
HKL
Paper
Cl4 ZrP c a 216.2311; 7.3497; 11.9462
90; 90; 90
547.1Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic
Zirconium tetrachloride revisited
Acta Crystallographica Section C, 2018, 74
2021029 CIF
HKL
Paper
Cl4 ZrP c a 216.2389; 7.3667; 11.9735
90; 90; 90
550.3Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic
Zirconium tetrachloride revisited
Acta Crystallographica Section C, 2018, 74
2021030 CIF
HKL
Paper
Cl4 ZrP c a 216.253; 7.383; 12.017
90; 90; 90
554.8Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic
Zirconium tetrachloride revisited
Acta Crystallographica Section C, 2018, 74
2021031 CIF
HKL
Paper
Cl4 ZrP c a 216.262; 7.402; 12.039
90; 90; 90
558Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic
Zirconium tetrachloride revisited
Acta Crystallographica Section C, 2018, 74
2021032 CIF
HKL
Paper
C34 H52 Cu N14 O14 S2P b a 213.711; 19.1598; 8.9327
90; 90; 90
2346.6Li, 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, 2018, 74
2021033 CIF
HKL
Paper
C42 H48 Cu2 N10 O15 S2P 1 21/c 118.787; 12.0409; 20.699
90; 99.905; 90
4612.6Li, 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, 2018, 74
2021034 CIF
HKL
Paper
C36 H30 I2 P2 ZnP 1 21/c 119.3126; 10.2713; 18.1414
90; 112.052; 90
3335.4Chen, 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, 2018, 74
2021035 CIF
HKL
Paper
C42 H42 I2 P2 ZnF 2 d d11.3104; 19.3208; 37.933
90; 90; 90
8289.3Chen, 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, 2018, 74
2021036 CIF
HKL
Paper
C75 H66 I4 O6 P6 Zn2P 1 21/c 118.982; 15.9507; 24.9714
90; 90.352; 90
7560.6Chen, 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, 2018, 74
2021037 CIF
HKL
Paper
C38 H26 N10 Ni O4 SP 21 21 219.8015; 20.9572; 21.7012
90; 90; 90
4457.7Harvey, 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, 2018, 74
2021038 CIF
HKL
Paper
C38 H26 N10 Ni O4 SI -428.596; 28.596; 13.5438
90; 90; 90
11075.2Harvey, 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, 2018, 74
2021039 CIF
HKL
Paper
C41 H41.5 N11 Ni O9.25 SP c c n13.406; 24.365; 28.114
90; 90; 90
9183Harvey, 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, 2018, 74
2021040 CIF
HKL
Paper
C8 H4 Cl N O3P n a 2124.3852; 6.0502; 5.1
90; 90; 90
752.4Pogoda, 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, 2018, 74
2021041 CIF
HKL
Paper
C0.86 Al0.24 Li0.24 Mg1.52P -6 m 23.197; 3.197; 5.1943
90; 90; 120
45.977Pavlyuk, 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, 2018, 74
2021042 CIF
HKL
Paper
C20 H16 N2 O16 S2 U2P -16.9406; 8.5527; 12.7193
108.581; 90.93; 92.396
714.7Cui, 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, 2018, 74
2021043 CIF
HKL
Paper
C56 H78 N4 O37 Tb4P 1 21/n 19.3676; 17.6232; 11.3172
90; 94.351; 90
1862.9Hao, 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, 2018, 74
2021044 CIF
HKL
Paper
C56 H76 Eu4 N4 O36P 1 21/n 19.4453; 17.7439; 11.3019
90; 94.278; 90
1888.9Hao, 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, 2018, 74
2021045 CIF
HKL
Paper
C12 H15 N5 O3P 43 21 27.559; 7.559; 44.103
90; 90; 90
2520Wang, 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, 2018, 74
2021046 CIF
HKL
Paper
C11 H15 N5 SP 1 21/n 111.4343; 7.7435; 14.5125
90; 108.109; 90
1221.31Szczesio, 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, 2018, 74
2021047 CIF
HKL
Paper
C8 H10 N4 S2P 1 21/n 17.2793; 19.962; 7.4299
90; 105.205; 90
1041.8Szczesio, 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, 2018, 74
2021048 CIF
HKL
Paper
C9 H12 N4 S2P -17.323; 8.5983; 10.0343
79.167; 71.019; 84.08
586.21Szczesio, 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, 2018, 74
2021049 CIF
HKL
Paper
C6 H8 N4P 1 21/c 16.9312; 14.6542; 7.1239
90; 114.011; 90
660.97Kassim, 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, 2018, 74
2021050 CIF
HKL
Paper
C32 H28 Co2 O18P -110.7964; 10.9649; 14.3692
96.412; 110.682; 92.9
1574.03An, 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, 2018, 74
2021051 CIF
HKL
Paper
C6 H9 N3 OP 1 21/c 19.6552; 10.7203; 7.448
90; 108.605; 90
730.63Strey, Mark; Jones, Peter G.
Pyridine 1:1 adducts of urea (Z′ = 1) and thiourea (Z′ = 8)
Acta Crystallographica Section C Structural Chemistry, 2018, 74
2021052 CIF
HKL
Paper
C6 H9 N3 SP 1 21/n 122.115; 8.4863; 34.1306
90; 95.778; 90
6372.9Strey, Mark; Jones, Peter G.
Pyridine 1:1 adducts of urea (Z′ = 1) and thiourea (Z′ = 8)
Acta Crystallographica Section C Structural Chemistry, 2018, 74
2021053 CIF
HKL
Paper
C34 H30 Cl2 N2 O2P 1 21/n 19.67404; 10.9707; 13.5552
90; 94.738; 90
1433.71Shin, In-Sub; Shimada, Yuta; Horiguchi-Babamoto, Emi; Matsumoto, Shinya
Two polymorphs of 2,5-dichloro-3,6-bis(dibenzylamino)-<i>p</i>-hydroquinone with flexible dibenzylamino groups
Acta Crystallographica Section C, 2018, 74
2021054 CIF
HKL
Paper
C34 H30 Cl2 N2 O2P b c a13.2054; 12.4456; 16.8489
90; 90; 90
2769.1Shin, In-Sub; Shimada, Yuta; Horiguchi-Babamoto, Emi; Matsumoto, Shinya
Two polymorphs of 2,5-dichloro-3,6-bis(dibenzylamino)-<i>p</i>-hydroquinone with flexible dibenzylamino groups
Acta Crystallographica Section C, 2018, 74
2021055 CIF
HKL
Paper
Ca2 Cd2 Na O12 V3I a -3 d12.7576; 12.7576; 12.7576
90; 90; 90
2076.38Tokuda, 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, 2018, 74
2021056 CIF
HKL
Paper
C19 H16 B2 N2 O4P 1 21/c 114.2967; 11.5113; 11.0913
90; 105.465; 90
1759.2Cárdenas-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, 2018, 74
2021057 CIF
HKL
Paper
C10 H13 Li N4 O4 SC 1 c 111.5095; 12.0788; 9.5184
90; 91.063; 90
1323.03Campbell, 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, 2018, 74
2021058 CIF
HKL
Paper
C10 H9 N4 Na O2 SP 1 21/c 15.901; 10.534; 18.389
90; 94.216; 90
1140Campbell, 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, 2018, 74
2021059 CIF
HKL
Paper
C10 H13 K N4 O4 SP -18.8503; 9.6385; 15.9734
92.35; 95.186; 94.209
1351.79Campbell, 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, 2018, 74
2021060 CIF
HKL
Paper
C26 H32 N6 Na O14.5 S3P 1 21/c 112.7688; 16.904; 15.7411
90; 107.609; 90
3238.42Campbell, 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, 2018, 74
2021061 CIF
HKL
Paper
C15 H16 N6 O2 SP 1 21/c 18.5796; 19.0371; 11.2512
90; 121.116; 90
1573.27Campbell, 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, 2018, 74
2021062 CIF
HKL
Paper
C12 H19 N5 O4 SP 1 21/c 112.7755; 9.8979; 11.5366
90; 93.508; 90
1456.08Campbell, 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, 2018, 74
2021063 CIF
HKL
Paper
C13 H10 O2P b c a15.0087; 13.8489; 19.52
90; 90; 90
4057.3Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas
Prevalent polymorphism in benzophenones
Acta Crystallographica Section C, 2018, 74
2021064 CIF
HKL
Paper
C15 H15 N OP 21 21 217.7442; 11.773; 26.2562
90; 90; 90
2393.84Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas
Prevalent polymorphism in benzophenones
Acta Crystallographica Section C, 2018, 74
2021065 CIF
HKL
Paper
C15 H14 OP 32 2 19.4796; 9.4796; 11.164
90; 90; 120
868.8Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas
Prevalent polymorphism in benzophenones
Acta Crystallographica Section C, 2018, 74
2021066 CIF
HKL
Paper
C15 H14 OP 21 21 2112.1952; 7.8601; 12.0734
90; 90; 90
1157.3Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas
Prevalent polymorphism in benzophenones
Acta Crystallographica Section C, 2018, 74
2021067 CIF
HKL
Paper
C15 H14 OP 1 21/c 125.369; 6.031; 15.256
90; 97.788; 90
2312.6Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas
Prevalent polymorphism in benzophenones
Acta Crystallographica Section C, 2018, 74
2021068 CIF
HKL
Paper
C19 H20 Cl2 N4 O5 SP 1 21/n 17.003; 28.2985; 11.507
90; 106.08; 90
2191.2Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc
Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine
Acta Crystallographica Section C, 2018, 74
2021069 CIF
HKL
Paper
C19 H23 Br N4 O6 SP 1 21/c 116.944; 6.8991; 19.7206
90; 109.773; 90
2169.4Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc
Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine
Acta Crystallographica Section C, 2018, 74
2021070 CIF
HKL
Paper
C19 H23 Cl N4 O6 SP 1 21/c 116.973; 6.8689; 19.6051
90; 109.321; 90
2156.95Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc
Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine
Acta Crystallographica Section C, 2018, 74
2021071 CIF
HKL
Paper
C20 H26 N4 O6 SP -16.9417; 9.8281; 16.2754
90.813; 90.376; 99.084
1096.29Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc
Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine
Acta Crystallographica Section C, 2018, 74
2021072 CIF
HKL
Paper
C29 H31 N4 O6.5P -111.168; 16.1913; 16.2434
106.203; 101.386; 90.029
2760.2Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc
Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine
Acta Crystallographica Section C, 2018, 74
2021073 CIF
HKL
Paper
C17 H15 Cl3 N4 O2 SP -19.3415; 10.2751; 11.373
63.919; 85.243; 83.689
973.8Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc
Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine
Acta Crystallographica Section C, 2018, 74
2021074 CIF
HKL
Paper
C17 H16 Br Cl N4 O2 SC 1 2/c 117.0836; 15.8893; 16.4764
90; 116.538; 90
4001.2Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc
Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine
Acta Crystallographica Section C, 2018, 74
2021075 CIF
HKL
Paper
C29 H31 Cl N4 O4P 1 21/n 19.5195; 15.7842; 18.8336
90; 92.293; 90
2827.6Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc
Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine
Acta Crystallographica Section C, 2018, 74
2021076 CIF
HKL
Paper
C34 H34 Cl2 N8 O6 S2P -110.7421; 11.7053; 24.5947
85.45; 87.699; 63.459
2757.86Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc
Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine
Acta Crystallographica Section C, 2018, 74
2021077 CIF
HKL
Paper
C30 H20 O2P 1 21/n 112.9627; 9.6666; 16.6887
90; 105.217; 90
2017.86Zarei, 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, 2018, 74
2021079 CIF
HKL
Paper
C36 H41.5 Br3 Co N9 O9.75P -110.6773; 13.0608; 16.356
71.118; 87.07; 80.73
2130Su, 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, 2018, 74, 504-512
2021080 CIF
HKL
Paper
C22 H16 Br3 Co N5 O4P b c a10.1342; 17.938; 28.071
90; 90; 90
5103Su, 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, 2018, 74, 504-512
2021081 CIF
HKL
Paper
C17 H14 F3 N3P 1 21/n 110.001; 20.82; 15.124
90; 96.12; 90
3131Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José
The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease
Acta Crystallographica Section C, 2018, 74, 513-522
2021082 CIF
HKL
Paper
C18 H16 F3 N3 OP b c a9.5097; 17.921; 20.011
90; 90; 90
3410.3Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José
The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease
Acta Crystallographica Section C, 2018, 74, 513-522
2021083 CIF
HKL
Paper
C18 H16 F3 N3 OP 1 21/n 115.1368; 7.7224; 15.4446
90; 112.454; 90
1668.5Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José
The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease
Acta Crystallographica Section C, 2018, 74, 513-522
2021084 CIF
HKL
Paper
C18 H16 F3 N3 OP -18.829; 9.513; 11.598
106.105; 95.554; 110.049
859.1Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José
The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease
Acta Crystallographica Section C, 2018, 74, 513-522
2021085 CIF
HKL
Paper
C18 H10 F9 N3 OP 1 21/n 111.9633; 7.8453; 20.0446
90; 95.191; 90
1873.6Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José
The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease
Acta Crystallographica Section C, 2018, 74, 513-522
2021086 CIF
HKL
Paper
C19 H18 F3 N3 O4P 1 21/c 130.656; 8.3363; 7.6723
90; 94.627; 90
1954.3Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José
The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease
Acta Crystallographica Section C, 2018, 74, 513-522
2021087 CIF
HKL
Paper
C17 H14 F3 N3 O3P 1 21/c 112.267; 8.4334; 15.686
90; 93.904; 90
1619Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José
The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease
Acta Crystallographica Section C, 2018, 74, 513-522
2021088 CIF
HKL
C16 H8 Mn N4 O8P 1 21/c 18.3422; 16.45; 11.8773
90; 93.108; 90
1627.51Liu, 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(1<i>H</i>-imidazole-4,5-dicarboxylate)
Acta Crystallographica Section C, 2018, 74, 599-603
2021089 CIF
HKL
Paper
C23 H17 Cl N6 O2P 1 21/c 111.8203; 9.1276; 21.1575
90; 100.468; 90
2244.71Potočňák, Ivan; Bukrynov, Oleksandr; Kliuikov, Andrii; Čižmár, Erik; Vitushkina, Svitlana; Váhovská, Lucia; Dušek, Michal
A Cu^II^ complex with an carbamoylcyanonitrosomethanide ligand formed <i>in situ</i> by the nucleophilic addition of water to dicyanonitrosomethanide: structure, spectral and magnetic properties
Acta Crystallographica Section C, 2018, 74, 584-589
2021090 CIF
Paper
C38 H36 As Cl O2 Pb2P b c a19.0566; 15.5255; 24.0975
90; 90; 90
7129.6Shihada, Abdel-Fattah; Weller, Frank; Massa, Werner
Between MOFs and molecules: organolead(IV) compounds with chain structures
Acta Crystallographica Section C Structural Chemistry, 2018, 74
2021091 CIF
Paper
C14 H16 As Cl O2 PbP 1 21/c 17.3822; 19.95; 10.2878
90; 99.763; 90
1493.19Shihada, Abdel-Fattah; Weller, Frank; Massa, Werner
Between MOFs and molecules: organolead(IV) compounds with chain structures
Acta Crystallographica Section C Structural Chemistry, 2018, 74
2021092 CIF
Paper
C30 H25 O2 P PbP 1 21/n 113.8277; 12.6242; 14.4713
90; 97.717; 90
2503.3Shihada, Abdel-Fattah; Weller, Frank; Massa, Werner
Between MOFs and molecules: organolead(IV) compounds with chain structures
Acta Crystallographica Section C Structural Chemistry, 2018, 74
2021093 CIF
HKL
Paper
C20 H32 O5P 21 21 216.4641; 11.6518; 25.4249
90; 90; 90
1914.96Zhao, 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 <i>Isodon amethystoides</i> bearing a six/five/seven-membered carbon-ring system
Acta Crystallographica Section C, 2018, 74, 635-640
2021094 CIF
HKL
Paper
C23 H24 F2 N3 O2 PP 19.7608; 10.6134; 11.2721
77.398; 75.589; 87.635
1103.64Eghbali 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, 2018, 74, 608-617
2021095 CIF
HKL
Paper
C23 H24 F2 N3 O2 PP 19.7524; 10.6117; 11.251
77.3381; 75.6221; 87.7313
1100.33Eghbali 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, 2018, 74, 608-617
2021096 CIF
HKL
Paper
C52 H119 N20 Na5 O60 P8C 1 2 137.656; 7.031; 21.959
90; 120.9; 90
4989Otreba, 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, 2018, 74, 571-583
2021097 CIF
HKL
Paper
C52 H105 N20 Na O51 P8C 1 2 139.474; 6.964; 18.656
90; 115.18; 90
4641Otreba, 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, 2018, 74, 571-583
2021098 CIF
HKL
Paper
C10 H18 N10 O8 P2P 1 21/c 110.515; 11.955; 7.064
90; 96.62; 90
882.1Otreba, 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, 2018, 74, 571-583
2021099 CIF
HKL
Paper
C10 H14 N10 O6 P2C 1 2/c 112.888; 11.093; 11.487
90; 101.44; 90
1609.6Otreba, 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, 2018, 74, 571-583
2021100 CIF
HKL
Paper
As Nb0.92 NiP n m a6.2115; 3.715; 7.172
90; 90; 90
165.5Baranets, 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, 2018, 74, 623-627
2021101 CIF
HKL
Paper
As Co NbP n m a6.2656; 3.7273; 7.1589
90; 90; 90
167.19Baranets, 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, 2018, 74, 623-627
2021102 CIF
HKL
Paper
Ge Nb NiP n m a6.2989; 3.7613; 7.2033
90; 90; 90
170.66Baranets, 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, 2018, 74, 623-627
2021103 CIF
HKL
Paper
C38 H62 Mg O4P 1 21 116.847; 15.6786; 21.787
90; 106.954; 90
5504.7Minyaev, 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, 2018, 74, 548-557
2021104 CIF
HKL
Paper
C40 H66 Al2 O8C 1 2/c 127.7603; 9.0454; 18.4921
90; 118.401; 90
4084.5Minyaev, 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, 2018, 74, 548-557
2021105 CIF
HKL
Paper
C68 H86 O8 Zn7P b c a13.9163; 20.4248; 23.0316
90; 90; 90
6546.4Minyaev, 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, 2018, 74, 548-557
2021106 CIF
HKL
Paper
Cl3 Cu RbC 2 2 217.053; 11.864; 11.785
90; 90; 90
986.1Kornyakov, 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, 2018, 74, 529-533
2021107 CIF
HKL
Paper
C16 H35 N7 O7P 1 21/n 19.7361; 13.7118; 16.1437
90; 92.249; 90
2153.52Jurek, Paul; Kiefer, Garry E.; Fronczek, Frank R.
Crystal structures of two polymorphic forms of DOTAM-mono-acid dihydrate
Acta Crystallographica Section C, 2018, 74, 542-547
2021108 CIF
HKL
Paper
C16 H35 N7 O7P 1 21 18.807; 14.9505; 16.6376
90; 95.903; 90
2179Jurek, Paul; Kiefer, Garry E.; Fronczek, Frank R.
Crystal structures of two polymorphic forms of DOTAM-mono-acid dihydrate
Acta Crystallographica Section C, 2018, 74, 542-547
2021109 CIF
HKL
Paper
Bi5 La3 TiP 63/m c m9.6871; 9.6871; 6.4528
90; 90; 120
524.4Ovchinnikov, 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, 2018, 74, 618-622
2021110 CIF
HKL
Paper
C78 H126 La O18 P3P 1 21/c 123.511; 10.6098; 33.8618
90; 92.1502; 90
8440.8Minyaev, 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, 2018, 74, 590-598
2021111 CIF
HKL
Paper
C78 H126 Ce O18 P3P 1 21/c 123.578; 10.6366; 33.808
90; 92.022; 90
8473.4Minyaev, 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, 2018, 74, 590-598
2021112 CIF
HKL
Paper
C78 H126 Nd O18 P3P 1 21/c 123.5159; 10.6376; 33.6934
90; 92.038; 90
8423.2Minyaev, 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, 2018, 74, 590-598
2021113 CIF
HKL
C18 H24 O4P 1 21 16.143; 8.4833; 14.767
90; 91.94; 90
769.1Shahid, 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, 2018, 74, 534-541
2021114 CIFC18 H24 O4P 1 21 16.143; 8.4833; 14.767
90; 91.94; 90
769.1Shahid, 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, 2018, 74, 534-541
2021115 CIF
HKL
C18 H24 O4P 1 21 16.143; 8.4833; 14.767
90; 91.94; 90
769.1Shahid, 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, 2018, 74, 534-541
2021118 CIF
HKL
Paper
C18 H20 B N O6P -19.05; 10.006; 11.082
69.207; 79.497; 82.267
919.8Hadjadj, 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, 2018, 74, 411-417
2021119 CIF
HKL
C17 H18 B N O6P 1 21/c 111.529; 8.885; 17.216
90; 108.308; 90
1674.3Hadjadj, 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, 2018, 74, 411-417
2021120 CIF
HKL
Paper
C14 H14 N8 OP 1 21/c 15.8043; 31.562; 7.898
90; 95.86; 90
1439.3Chen, 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, 2018, 74
2021121 CIF
HKL
Paper
C7 H11 Cl N2 O2P 1 21/n 110.2225; 9.6736; 10.2678
90; 112.165; 90
940.3Prodius, 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, 2018, 74
2021122 CIF
HKL
Paper
C24 H26 F N OP 1 21/c 113.4219; 8.3679; 18.5974
90; 98.348; 90
2066.6Yao, 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, 2018, 74
2021123 CIF
HKL
Paper
C26 H31 N O3P 1 21/c 119.1378; 16.2788; 7.5525
90; 98.386; 90
2327.8Yao, 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, 2018, 74
2021124 CIF
HKL
Paper
C27 H23 F N2 O3P -17.0689; 8.2072; 20.1397
94.401; 97.829; 106.575
1101.18Yao, 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, 2018, 74
2021125 CIF
HKL
Paper
C132 H203 La2 O23 P5P 1 21/n 127.4921; 16.9467; 30.909
90; 106.801; 90
13785.8Minyaev, 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, 2018, 74
2021126 CIF
HKL
Paper
C134 H211 Nd2 O25 P5P -115.094; 17.491; 27.444
102.142; 95.211; 90.412
7052Minyaev, 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, 2018, 74
2021127 CIFC23 H31 Cl F N3 O5P 1 21/n 112.3225; 14.5183; 13.8141
90; 98.361; 90
2445.1Zhou, Xin-Bo; Zhu, Jian-Rong; Gu, Jian-Ming; Hu, Xiu-Rong
A new polymorph of the gastrokinetic drug cisapride monohydrate
Acta Crystallographica Section C, 2018, 74
2021128 CIF
HKL
Paper
C21 H24 N6 O3 SP 1 21/c 110.801; 17.301; 11.777
90; 104.28; 90
2132.7Cobo, Justo; Vicentes, Daniel E.; Rodríguez, Ricaurte; Marchal, Antonio; Glidewell, Christopher
A concise synthesis of a highly substituted 6-(1<i>H</i>-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, 2018, 74

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