Crystallography Open Database

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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
2020898 CIF
HKL
Paper
C5 H7 N3P b c a5.1217; 9.8397; 21.914
90; 90; 90
1104.4Hall, Victoria M.; Bertke, Jeffery A.; Swift, Jennifer A.
A new polymorph of 2,6-diaminopyridine
Acta Crystallographica Section C, 2017, 73, 990-993
2020899 CIF
HKL
Paper
C6 H8 N2P 1 21/c 14.5031; 6.586; 10.572
90; 96.54; 90
311.5Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W.
Adiponitrile at 100K
Acta Crystallographica Section C, 2017, 73, 937-940
2020900 CIF
HKL
Paper
C13 H13 N3 O SP -18.4341; 8.6991; 10.1083
91.249; 113.506; 110.292
626.74Schroeder, Zachary W.; Hiscock, L. K.; Dawe, Louise Nicole
Copper(II)- and gold(III)-mediated cyclization of a thiourea to a substituted 2-aminobenzothiazole
Acta Crystallographica Section C, 2017, 73, 905-910
2020901 CIF
HKL
Paper
C26 H24 Cu N8 O9 S2P b c n18.1534; 7.1814; 21.8523
90; 90; 90
2848.82Schroeder, Zachary W.; Hiscock, L. K.; Dawe, Louise Nicole
Copper(II)- and gold(III)-mediated cyclization of a thiourea to a substituted 2-aminobenzothiazole
Acta Crystallographica Section C, 2017, 73, 905-910
2020902 CIF
HKL
Paper
C26 H26 Au Cl3 N6 O3 S2P -110.0052; 12.594; 12.9412
111.867; 97.271; 99.755
1459.04Schroeder, Zachary W.; Hiscock, L. K.; Dawe, Louise Nicole
Copper(II)- and gold(III)-mediated cyclization of a thiourea to a substituted 2-aminobenzothiazole
Acta Crystallographica Section C, 2017, 73, 905-910
2020903 CIF
HKL
Paper
C10 H12 Cl3 K O2 PtP 1 21/c 112.0312; 16.1528; 8.1007
90; 107.295; 90
1503.09Nguyen Thi Thanh, Chi; Truong Thi Cam, Mai; Pham Van, Thong; Nguyen, Long; Nguyen Ha, My; Van Meervelt, Luc
Synthesis, structure and <i>in vitro</i> cytotoxicity of platinum(II) complexes containing eugenol and a quinolin-8-ol-derived chelator
Acta Crystallographica Section C, 2017, 73, 1030-1037
2020904 CIF
HKL
Paper
C19 H16 Cl3 N O3 PtP -18.1313; 11.296; 11.4294
88.793; 76.567; 70.219
958.93Nguyen Thi Thanh, Chi; Truong Thi Cam, Mai; Pham Van, Thong; Nguyen, Long; Nguyen Ha, My; Van Meervelt, Luc
Synthesis, structure and <i>in vitro</i> cytotoxicity of platinum(II) complexes containing eugenol and a quinolin-8-ol-derived chelator
Acta Crystallographica Section C, 2017, 73, 1030-1037
2020905 CIF
HKL
Paper
C6 H28 N12 Ni2 O8P -17.1226; 9.0134; 9.1203
103.16; 107.48; 106.69
502.4Liu, Feng-Yi; Zhou, Dong-Mei; Zhao, Xiao-Lan; Kou, Jun-Feng
Complexes of nickel(II) and copper(II) with 1,2,4-triazole-3-carboxylic acid and of cobalt(III) with 3-amino-1,2,4-triazole-5-carboxylic acid
Acta Crystallographica Section C, 2017, 73, 1010-1016
2020906 CIF
HKL
Paper
C3 H11 Cu N5 O4P -17.2183; 7.4079; 9.887
72.45; 68.82; 62.74
432.3Liu, Feng-Yi; Zhou, Dong-Mei; Zhao, Xiao-Lan; Kou, Jun-Feng
Complexes of nickel(II) and copper(II) with 1,2,4-triazole-3-carboxylic acid and of cobalt(III) with 3-amino-1,2,4-triazole-5-carboxylic acid
Acta Crystallographica Section C, 2017, 73, 1010-1016
2020907 CIF
HKL
Paper
C3 H29 Co2 N11 O11P 1 21/n 17.0765; 12.676; 20.591
90; 98.7; 90
1825.8Liu, Feng-Yi; Zhou, Dong-Mei; Zhao, Xiao-Lan; Kou, Jun-Feng
Complexes of nickel(II) and copper(II) with 1,2,4-triazole-3-carboxylic acid and of cobalt(III) with 3-amino-1,2,4-triazole-5-carboxylic acid
Acta Crystallographica Section C, 2017, 73, 1010-1016
2020908 CIF
HKL
Paper
C7 H8 B F3 N2 O3P 1 21/c 111.5305; 8.2823; 11.502
90; 118.304; 90
967.11Kopczyńska, Karolina; Marek, Paulina H.; Banaś, Bartłomiej; Madura, Izabela D.
Synthon preference in the cocrystal of 3,4,5-trifluorophenylboronic acid with urea
Acta Crystallographica Section C, 2017, 73, 889-895
2020909 CIF
HKL
C3 B Li0.96P -6 m 22.5408; 2.5408; 7.5989
90; 90; 120
42.484Milashius, Viktoria; Pavlyuk, Volodymyr; Kluziak, Karolina; Dmytriv, Grygoriy; Ehrenberg, Helmut
LiBC~3~: a new borocarbide based on graphene and heterographene networks
Acta Crystallographica Section C, 2017, 73, 984-989
2020910 CIF
Paper
C24 H17 Cl2 F3 N3 O6 Re S2P -18.596; 11.217; 15.161
92.88; 104.12; 91.19
1415.06Pinto, Miguel; Chakraborty, Indranil; Martinez-Gonzalez, Jorge; Mascharak, Pradip
Synthesis and structures of photoactive rhenium carbonyl complexes derived from 2-(pyridin-2-yl)-1,3-benzothiazole, 2-(quinolin-2-yl)-1,3-benzothiazole and 1,10-phenanthroline
Acta Crystallographica Section C, 2017, 73, 923-929
2020911 CIF
HKL
Paper
C27 H17 F3 N3 O6.28 Re S2P 1 21/n 112.814; 12.088; 18.248
90; 96.56; 90
2808Pinto, Miguel; Chakraborty, Indranil; Martinez-Gonzalez, Jorge; Mascharak, Pradip
Synthesis and structures of photoactive rhenium carbonyl complexes derived from 2-(pyridin-2-yl)-1,3-benzothiazole, 2-(quinolin-2-yl)-1,3-benzothiazole and 1,10-phenanthroline
Acta Crystallographica Section C, 2017, 73, 923-929
2020912 CIF
HKL
Paper
C23 H15 F3 N3 O6 Re SP 1 21/n 112.398; 12.878; 15.393
90; 91.83; 90
2456.4Pinto, Miguel; Chakraborty, Indranil; Martinez-Gonzalez, Jorge; Mascharak, Pradip
Synthesis and structures of photoactive rhenium carbonyl complexes derived from 2-(pyridin-2-yl)-1,3-benzothiazole, 2-(quinolin-2-yl)-1,3-benzothiazole and 1,10-phenanthroline
Acta Crystallographica Section C, 2017, 73, 923-929
2020913 CIF
HKL
Paper
C25 H17 Cu F6 N O5P -110.5928; 10.7082; 12.4943
69.019; 71.705; 88.11
1251.32Perdih, Franc
Copper(II) bis(4,4,4-trifluoro-1-phenylbutane-1,3-dionate) complexes with pyridin-2-one, 3-hydroxypyridine and 3-hydroxypyridin-2-one ligands: molecular structures and hydrogen-bonded networks
Acta Crystallographica Section C, 2017, 73, 960-967
2020914 CIF
HKL
Paper
C30 H22 Cu F6 N2 O6P 1 21/c 110.0085; 14.154; 11.2503
90; 110.022; 90
1497.4Perdih, Franc
Copper(II) bis(4,4,4-trifluoro-1-phenylbutane-1,3-dionate) complexes with pyridin-2-one, 3-hydroxypyridine and 3-hydroxypyridin-2-one ligands: molecular structures and hydrogen-bonded networks
Acta Crystallographica Section C, 2017, 73, 960-967
2020915 CIF
HKL
Paper
C30 H22 Cu F6 N2 O8P -17.595; 9.6764; 10.7507
108.71; 101.727; 93.65
725.61Perdih, Franc
Copper(II) bis(4,4,4-trifluoro-1-phenylbutane-1,3-dionate) complexes with pyridin-2-one, 3-hydroxypyridine and 3-hydroxypyridin-2-one ligands: molecular structures and hydrogen-bonded networks
Acta Crystallographica Section C, 2017, 73, 960-967
2020916 CIF
HKL
Paper
C19 H22 Cd N10P -17.3585; 8.796; 17.619
79.56; 84.69; 78.96
1098.8Lu, Yang; Liao, Wei-Qiang; Hua, Xiu-Ni
A new two-dimensional polymeric cadmium(II) complex containing dicyanamide bridging ligands
Acta Crystallographica Section C, 2017, 73, 885-888
2020917 CIF
HKL
Paper
C12 H15 N O2P b c a9.207; 8.21; 28.27
90; 90; 90
2136.91Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka
Crystallographic studies of cinnamamide derivatives as a means of searching for anticonvulsant activity
Acta Crystallographica Section C, 2017, 73, 953-959
2020918 CIF
HKL
Paper
C13 H17 N O2P b c a10.627; 9.249; 24.623
90; 90; 90
2420.17Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka
Crystallographic studies of cinnamamide derivatives as a means of searching for anticonvulsant activity
Acta Crystallographica Section C, 2017, 73, 953-959
2020919 CIF
HKL
Paper
C14 H17 N O2P 1 21/c 114.294; 11.448; 16.112
90; 110.158; 90
2475Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka
Crystallographic studies of cinnamamide derivatives as a means of searching for anticonvulsant activity
Acta Crystallographica Section C, 2017, 73, 953-959
2020920 CIF
HKL
Paper
C13 H13 Cl2 N3 O3P -19.3874; 10.5102; 15.4295
71.167; 83.335; 87.73
1431.09Rajam, Ammaiyappan; Muthiah, P. Thomas; Butcher, Ray J.; Jasinski, Jerry P.; Glidewell, Christopher
Cation tautomerism, twinning and disorder in the triclinic and monoclinic forms of 4-amino-5-chloro-2,6-dimethylpyrimidinium 5-chloro-2-hydroxybenzoate and a new disordered refinement of 2-amino-4,6-dimethoxypyrimidin-1-ium thiophene-2-carboxylate
Acta Crystallographica Section C, 2017, 73, 862-868
2020921 CIF
HKL
Paper
C13 H13 Cl2 N3 O3P 1 21/c 124.7483; 6.9525; 18.1423
90; 111.5; 90
2904.4Rajam, Ammaiyappan; Muthiah, P. Thomas; Butcher, Ray J.; Jasinski, Jerry P.; Glidewell, Christopher
Cation tautomerism, twinning and disorder in the triclinic and monoclinic forms of 4-amino-5-chloro-2,6-dimethylpyrimidinium 5-chloro-2-hydroxybenzoate and a new disordered refinement of 2-amino-4,6-dimethoxypyrimidin-1-ium thiophene-2-carboxylate
Acta Crystallographica Section C, 2017, 73, 862-868
2020922 CIF
HKL
Paper
C11 H13 N3 O4 SP 1 21/n 16.7335; 7.6307; 25.0638
90; 93.928; 90
1284.79Rajam, Ammaiyappan; Muthiah, P. Thomas; Butcher, Ray J.; Jasinski, Jerry P.; Glidewell, Christopher
Cation tautomerism, twinning and disorder in the triclinic and monoclinic forms of 4-amino-5-chloro-2,6-dimethylpyrimidinium 5-chloro-2-hydroxybenzoate and a new disordered refinement of 2-amino-4,6-dimethoxypyrimidin-1-ium thiophene-2-carboxylate
Acta Crystallographica Section C, 2017, 73, 862-868
2020923 CIF
HKL
Paper
Cs3 Li O16 W4 Zn2I -4 3 d12.2643; 12.2643; 12.2643
90; 90; 90
1844.71Solodovnikov, Sergey F.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Kadyrova, Yulia M.; Savina, Aleksandra A.; Stefanovich, Sergey Yu.; Khaikina, Elena G.
Cs~3~LiZn~2~(WO~4~)~4~ and Rb~3~Li~2~Ga(MoO~4~)~4~: different filled derivatives of the cation-deficient Cs~6~Zn~5~(MoO~4~)~8~ structure
Acta Crystallographica Section C, 2017, 73, 946-952
2020924 CIF
HKL
Paper
Ga Li2 Mo4 O16 Rb3I -4 2 d11.8635; 11.8635; 11.8932
90; 90; 90
1673.88Solodovnikov, Sergey F.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Kadyrova, Yulia M.; Savina, Aleksandra A.; Stefanovich, Sergey Yu.; Khaikina, Elena G.
Cs~3~LiZn~2~(WO~4~)~4~ and Rb~3~Li~2~Ga(MoO~4~)~4~: different filled derivatives of the cation-deficient Cs~6~Zn~5~(MoO~4~)~8~ structure
Acta Crystallographica Section C, 2017, 73, 946-952
2020925 CIF
HKL
Paper
C69.27 H64.81 O16.14P -112.519; 12.594; 19.975
80.12; 89.69; 68.02
2871.2Vinokur, Anastasiya I.; White, Paul B.; Fotsing, Maurice Tagatsing; Arderne, Charmaine; Ndinteh, Derek Tantoh; Vestling, Martha M.; Guzei, Ilia A.
Deciphering composition and connectivity of a natural product with the assistance of MS and 2D NMR
Acta Crystallographica Section C, 2017, 73, 994-1002
2020926 CIF
HKL
Paper
C18 H15 Br O5P 1 21/n 111.96; 9.025; 14.981
90; 96.768; 90
1605.8Li, Ning; Yao, Binrong; Wang, Chunhua; Meng, Qingguo; Hou, Guige
Synthesis, crystal structure and activity evaluation of novel 3,4-dihydro-1-benzoxepin-5(2<i>H</i>)-one derivatives as protein‒tyrosine kinase (PTK) inhibitors
Acta Crystallographica Section C, 2017, 73, 1003-1009
2020927 CIF
HKL
Paper
C8 H10 F Na O5P 1 21/n 15.4784; 5.9139; 30.379
90; 92.54; 90
983.27Smith, Graham
Two-dimensional coordination polymeric structures in the sodium, potassium and rubidium complex salts with (4-fluorophenoxy)acetic acid
Acta Crystallographica Section C, 2017, 73, 979-983
2020928 CIF
HKL
Paper
C8 H6 F K O3P 1 21/c 118.3542; 6.9466; 6.5969
90; 92.995; 90
839.95Smith, Graham
Two-dimensional coordination polymeric structures in the sodium, potassium and rubidium complex salts with (4-fluorophenoxy)acetic acid
Acta Crystallographica Section C, 2017, 73, 979-983
2020929 CIF
HKL
Paper
C8 H6 F O3 RbP 1 21/c 118.0011; 7.1625; 6.8548
90; 91.995; 90
883.27Smith, Graham
Two-dimensional coordination polymeric structures in the sodium, potassium and rubidium complex salts with (4-fluorophenoxy)acetic acid
Acta Crystallographica Section C, 2017, 73, 979-983
2020930 CIF
HKL
Paper
C21 H15 Ag N2 O6P 1 21/n 18.4981; 17.669; 12.658
90; 100.95; 90
1866Chen, Jing-Min; Zhou, Qian-Kun; Hou, Yi-Xuan; Liu, Dong
Construction and photocatalytic properties of two metal-mediated coordination polymers based on benzene-1,3,5-tricarboxylic acid and <i>trans</i>-1-(pyridin-3-yl)-2-(pyridin-4-yl)ethene
Acta Crystallographica Section C, 2017, 73, 1017-1023
2020931 CIF
HKL
Paper
C21 H16 Cd N2 O7P -19.4176; 9.861; 12.269
91.11; 103.34; 117.23
975.4Chen, Jing-Min; Zhou, Qian-Kun; Hou, Yi-Xuan; Liu, Dong
Construction and photocatalytic properties of two metal-mediated coordination polymers based on benzene-1,3,5-tricarboxylic acid and <i>trans</i>-1-(pyridin-3-yl)-2-(pyridin-4-yl)ethene
Acta Crystallographica Section C, 2017, 73, 1017-1023
2020932 CIF
HKL
Paper
C19 H35 N P2P 1 2/c 116.2905; 6.751; 18.9112
90; 98.2024; 90
2058.52Han, Delong; Andres, Benjamin; Spannenberg, Anke; Beweries, Torsten
Synthesis and coordination chemistry of the PPN ligand 2-[bis(diisopropylphosphanyl)methyl]-6-methylpyridine
Acta Crystallographica Section C, 2017, 73, 917-922
2020933 CIF
HKL
Paper
C19 H35 Cl2 Fe N P2P -18.2907; 10.7222; 13.6434
87.0826; 80.8448; 75.7315
1160.35Han, Delong; Andres, Benjamin; Spannenberg, Anke; Beweries, Torsten
Synthesis and coordination chemistry of the PPN ligand 2-[bis(diisopropylphosphanyl)methyl]-6-methylpyridine
Acta Crystallographica Section C, 2017, 73, 917-922
2020934 CIF
HKL
Paper
C19 H35 Cl2 Co N P2P -18.2603; 10.722; 13.6314
86.8728; 80.5491; 75.6607
1153.68Han, Delong; Andres, Benjamin; Spannenberg, Anke; Beweries, Torsten
Synthesis and coordination chemistry of the PPN ligand 2-[bis(diisopropylphosphanyl)methyl]-6-methylpyridine
Acta Crystallographica Section C, 2017, 73, 917-922
2020935 CIF
HKL
Paper
C22 H35 Br Mn N O3 P2P 1 21/n 110.6732; 15.6935; 15.1651
90; 96.0732; 90
2525.9Han, Delong; Andres, Benjamin; Spannenberg, Anke; Beweries, Torsten
Synthesis and coordination chemistry of the PPN ligand 2-[bis(diisopropylphosphanyl)methyl]-6-methylpyridine
Acta Crystallographica Section C, 2017, 73, 917-922
2020936 CIF
HKL
Paper
C20 H22 Cd N2 O5P -18.7119; 10.318; 10.961
83.47; 82.91; 84.71
968.3Hou, Yi-Xuan; Liu, Dong
A three-dimensional supramolecular framework based on the interlinkage of an interpenetrating diamondoid coordination network
Acta Crystallographica Section C, 2017, 73, 869-873
2020937 CIF
HKL
Paper
C27 H28 N6 O6 PtP -110.264; 12.066; 13.382
98.7061; 110.591; 113.591
1336.8Kiwada, Tatsuto; Takayama, Hiroshi; Hirasaki, Aika; Ogawa, Kazuma; Odani, Akira
Asymmetric structure of <i>cis</i>-[<i>N</i>-(9-anthracenylmethyl)-1,2-ethanediamine]dipyridineplatinum(II) dinitrate
Acta Crystallographica Section C, 2017, 73, 975-978
2020938 CIF
HKL
Paper
C11 H7 Co Cu4 N26 OP n m a12.3459; 15.9301; 14.7454
90; 90; 90
2900Qin, Ying-Lian; Qin, Jian-Fang; Sun, Hong
A novel tetrazolate- and cyanide-bridged three-dimensional heterometallic coordination polymer: crystal structure, thermal stability and magnetic properties
Acta Crystallographica Section C, 2017, 73, 968-974
2020939 CIF
Paper
C25 H29 Cu F6 N3 O8 S2P -18.8133; 11.8; 15.404
96.363; 93.886; 105.518
1526.1Sivanesan, Dharmalingam; Youn, Min Hye; Park, Ki Tae; Kim, Hak Joo; Grace, Andrews Nirmala; Jeong, Soon Kwan
Mono- and dinuclear Cu^II^ complexes of the benzyldipicolylamine (BDPA) ligand: crystal structure, synthesis and characterization
Acta Crystallographica Section C, 2017, 73, 1024-1029
2020940 CIF
Paper
C42 H38 Cu2 F12 N6 O12 S4P -18.8793; 10.5542; 14.162
103.357; 94.115; 102.742
1248.9Sivanesan, Dharmalingam; Youn, Min Hye; Park, Ki Tae; Kim, Hak Joo; Grace, Andrews Nirmala; Jeong, Soon Kwan
Mono- and dinuclear Cu^II^ complexes of the benzyldipicolylamine (BDPA) ligand: crystal structure, synthesis and characterization
Acta Crystallographica Section C, 2017, 73, 1024-1029
2020941 CIF
HKL
Paper
C6 H20 N22 O2P 1 21/c 112.231; 3.919; 17.968
90; 92.949; 90
860.1Liu, Qing; Chen, Xiang; Cao, Wenli; Yang, Jin; Zhang, Wenhui; Ren, Yinghui; Ma, Haixia; Zhao, Fengqi; Hu, Rongzu
The synthesis, crystal structure and thermal properties of an energetic compound: the hydrated azanium salt of 3,6-bis[(1<i>H</i>-1,2,3,4-tetrazol-5-yl)amino]-1,2,4,5-tetrazine
Acta Crystallographica Section C, 2017, 73, 941-945
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

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