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

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