Crystallography Open Database

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2020684 CIF
HKL
Paper
C10 H9 I N2P 21 21 218.7561; 9.0016; 12.8869
90; 90; 90
1015.73Nwachukwu, Chideraa I.; Bowling, Nathan P.; Bosch, Eric
C—I···N and C—I···π halogen bonding in the structures of 1-benzyliodoimidazole derivatives
Acta Crystallographica Section C, 2017, 73, 2-8
2020685 CIF
HKL
C10 H9 I N2P 1 21/n 18.4574; 6.1526; 19.4261
90; 96.362; 90
1004.61Nwachukwu, Chideraa I.; Bowling, Nathan P.; Bosch, Eric
C—I···N and C—I···π halogen bonding in the structures of 1-benzyliodoimidazole derivatives
Acta Crystallographica Section C, 2017, 73, 2-8
2020686 CIF
HKL
C14 H11 I N2P -16.4606; 8.2346; 12.3451
108.064; 94.174; 95.366
618.05Nwachukwu, Chideraa I.; Bowling, Nathan P.; Bosch, Eric
C—I···N and C—I···π halogen bonding in the structures of 1-benzyliodoimidazole derivatives
Acta Crystallographica Section C, 2017, 73, 2-8
2020687 CIF
HKL
Paper
C17 H19 N5 O2 SP n a 2130.5388; 8.0984; 15.081
90; 90; 90
3729.76Patel, Urmila H.; Purohit, Ketankumar P.
Pyridine and 3-methylpyridine solvates of the triple sulfa drug constitutent sulfamethazine
Acta Crystallographica Section C, 2017, 73, 9-12
2020688 CIF
HKL
C18 H21 N5 O2 SP 21 21 219.692; 25.1673; 7.9853
90; 90; 90
1947.79Patel, Urmila H.; Purohit, Ketankumar P.
Pyridine and 3-methylpyridine solvates of the triple sulfa drug constitutent sulfamethazine
Acta Crystallographica Section C, 2017, 73, 9-12
2020689 CIF
HKL
C6 H9 N3 SP n a 218.843; 17.485; 5.041
90; 90; 90
779.4Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian
Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core
Acta Crystallographica Section C, 2017, 73, 36-46
2020690 CIF
HKL
C12 H18 Cu2 N8 O6 S2P -17.235; 7.548; 10.297
105.42; 98.15; 112.43
482Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian
Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core
Acta Crystallographica Section C, 2017, 73, 36-46
2020691 CIF
HKL
C12 H18 B2 Cu2 F8 N6 S2P -17.754; 7.965; 10.372
67.57; 89.99; 61.07
504.6Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian
Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core
Acta Crystallographica Section C, 2017, 73, 36-46
2020692 CIF
HKL
C10 H16 Cu2 N8 O7 S4P 1 21/c 17.379; 18.78; 14.702
90; 94.82; 90
2030.2Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian
Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core
Acta Crystallographica Section C, 2017, 73, 36-46
2020693 CIF
HKL
C11 H19.5 Cu2 F6 N6.5 O3 S4 SiP 1 21/n 111.899; 11.442; 17.678
90; 102.04; 90
2353.9Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian
Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core
Acta Crystallographica Section C, 2017, 73, 36-46
2020694 CIF
HKL
C23 H30 Cu2 N6 O8 S6P 1 21/c 114.944; 16.587; 14.658
90; 117.91; 90
3210.7Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian
Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core
Acta Crystallographica Section C, 2017, 73, 36-46
2020695 CIF
HKL
Paper
C19 H19 N O SP 1 21 111.4261; 8.1847; 16.8243
90; 93.067; 90
1571.14Mateus-Ruíz, Jeferson B.; Acosta Quintero, Lina M.; Palma, Alirio; Macías, Mario A.; Cobo, Justo; Glidewell, Christopher
Three tetracyclic dibenzoazepine derivatives exhibiting different molecular conformations, different patterns of intermolecular hydrogen bonding and different modes of supramolecular aggregation
Acta Crystallographica Section C, 2017, 73, 28-35
2020696 CIF
HKL
Paper
C20 H21 N O SC 1 2/c 118.1021; 12.4436; 14.8429
90; 97.645; 90
3313.7Mateus-Ruíz, Jeferson B.; Acosta Quintero, Lina M.; Palma, Alirio; Macías, Mario A.; Cobo, Justo; Glidewell, Christopher
Three tetracyclic dibenzoazepine derivatives exhibiting different molecular conformations, different patterns of intermolecular hydrogen bonding and different modes of supramolecular aggregation
Acta Crystallographica Section C, 2017, 73, 28-35
2020697 CIF
HKL
Paper
C22 H20 Cl N O3P -16.8533; 10.612; 13.561
72.45; 75.84; 82.46
910Mateus-Ruíz, Jeferson B.; Acosta Quintero, Lina M.; Palma, Alirio; Macías, Mario A.; Cobo, Justo; Glidewell, Christopher
Three tetracyclic dibenzoazepine derivatives exhibiting different molecular conformations, different patterns of intermolecular hydrogen bonding and different modes of supramolecular aggregation
Acta Crystallographica Section C, 2017, 73, 28-35
2020698 CIF
HKL
Paper
C45 H52 N4 O9 RuC 1 2/c 139.3876; 9.6153; 29.5299
90; 130.719; 90
8476.3Andreev, Sergey V.; Zverev, Sergey A.; Zamilatskov, Ilya A.; Kurochkina, Nadezhda M.; Ponomarev, Gelii V.; Fitch, Andrew N.; Chernyshev, Vladimir V.
Polymeric structure of a coproporphyrin I ruthenium(II) complex: a powder diffraction study
Acta Crystallographica Section C, 2017, 73, 47-51
2020699 CIF
HKL
Paper
C16 H16 N2 O3 SP -16.545; 9.3526; 12.782
94.047; 93.143; 95.735
775.05Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław; Becker, Barbara
Crystallographic study of self-organization in the solid state including quasi-aromatic pseudo-ring stacking interactions in 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea and 1-benzoyl-3-(2-hydroxypropyl)thiourea
Acta Crystallographica Section C, 2017, 73, 52-56
2020700 CIF
HKL
Paper
C11 H14 N2 O2 SP 1 21/c 122.415; 8.1479; 13.4592
90; 102.618; 90
2398.8Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław; Becker, Barbara
Crystallographic study of self-organization in the solid state including quasi-aromatic pseudo-ring stacking interactions in 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea and 1-benzoyl-3-(2-hydroxypropyl)thiourea
Acta Crystallographica Section C, 2017, 73, 52-56
2020701 CIF
HKL
C15 H29 B N O6 PP 1 21/c 18.437; 23.5403; 10.3281
90; 98.1871; 90
2030.35Zhang, Rui; Zhang, Yundi; Ge, Chunhua; Miao, Jinpeng; Zhang, Xiangdong
Two closely related {4-[(<i>N</i>-substituted amino)(diethoxyphosphoryl)methyl]phenyl}boronic acids
Acta Crystallographica Section C, 2017, 73, 57-60
2020702 CIF
HKL
C17 H22 B N2 O7 PP b c n10.259; 14.5721; 27.577
90; 90; 90
4122.6Zhang, Rui; Zhang, Yundi; Ge, Chunhua; Miao, Jinpeng; Zhang, Xiangdong
Two closely related {4-[(<i>N</i>-substituted amino)(diethoxyphosphoryl)methyl]phenyl}boronic acids
Acta Crystallographica Section C, 2017, 73, 57-60
2020704 CIF
HKL
Paper
C38 H47 N5 PdC 1 2/c 129.525; 4.94; 25.663
90; 117.225; 90
3328.4Erzina, Dina R.; Zamilatskov, Ilya A.; Kurochkina, Nadezhda M.; Ponomarev, Gelii V.; Tafeenko, Victor A.
Structural explanation of the spectral features of the nonsymmetrical complex {2,3,7,8,12,13,17,18-octaethyl-5-[(methylimino)methyl]porphyrinato-κ^4^<i>N</i>^21^,<i>N</i>^22^,<i>N</i>^23^,<i>N</i>^24^}palladium(II)
Acta Crystallographica Section C, 2017, 73, 68-71
2020705 CIF
HKL
Paper
C28 H16 N4 O8 Zn2C 1 2/c 19.4371; 18.909; 14.4981
90; 104.162; 90
2508.5Su, Feng; Lu, Liping; Zhou, Chengyong; Wang, Xiaoxia; Sun, Long; Han, Chun
A three-dimensional Zn^II^ coordination polymer constructed from 1,1'-biphenyl-2,2',4,4'-tetracarboxylate and 1,4-bis(1<i>H</i>-imidazol-1-yl)benzene ligands exhibiting photoluminescence
Acta Crystallographica Section C, 2017, 73, 72-77
2020706 CIF
HKL
Paper
C12 H16 N2 O2 S2P n a 2112.8212; 10.5085; 10.6608
90; 90; 90
1436.35Szczesio, Małgorzata; Olczak, Andrzej; Mazerant, Ida; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.
Planarity of benzoylthiocarbazate tuberculostatics. III. Diesters of 3-(2-hydroxybenzoyl)dithiocarbazic acid
Acta Crystallographica Section C, 2017, 73, 84-90
2020707 CIF
HKL
C16 H16 N2 O2 S2P 1 21/c 113.2762; 12.6138; 10.1742
90; 108.597; 90
1614.84Szczesio, Małgorzata; Olczak, Andrzej; Mazerant, Ida; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.
Planarity of benzoylthiocarbazate tuberculostatics. III. Diesters of 3-(2-hydroxybenzoyl)dithiocarbazic acid
Acta Crystallographica Section C, 2017, 73, 84-90
2020708 CIF
HKL
C25 H28 N2 O3 S2P -18.795; 10.254; 14.044
74.95; 76.74; 88.99
1189.3Szczesio, Małgorzata; Olczak, Andrzej; Mazerant, Ida; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.
Planarity of benzoylthiocarbazate tuberculostatics. III. Diesters of 3-(2-hydroxybenzoyl)dithiocarbazic acid
Acta Crystallographica Section C, 2017, 73, 84-90
2020709 CIF
Paper
C22 H26 N4 O4 ZnP 1 21/n 19.491; 18.7233; 11.9855
90; 101.315; 90
2088.5Tan, Xiong-Wen; Li, Heng-Feng; Li, Chang-Hong
Two new isomeric zinc(II) metal‒organic frameworks based on 1,5-bis(2-methyl-1<i>H</i>-imidazol-1-yl)pentane and 5-methylisophthalate ligands
Acta Crystallographica Section C, 2017, 73, 78-83
2020710 CIFC31 H32 N4 O8 Zn2P 1 21/n 111.1005; 17.486; 16.372
90; 95.625; 90
3162.6Tan, Xiong-Wen; Li, Heng-Feng; Li, Chang-Hong
Two new isomeric zinc(II) metal‒organic frameworks based on 1,5-bis(2-methyl-1<i>H</i>-imidazol-1-yl)pentane and 5-methylisophthalate ligands
Acta Crystallographica Section C, 2017, 73, 78-83
2020713 CIF
HKL
C28 H28 Cu N10 O7P -110.174; 12.538; 13.665
63.45; 77.06; 73.02
1482.4Li, Jian-Hua; Zhu, Meng-Di; Huang, Qiu-Ying
A new one-dimensional Cu^II^ complex with a three-dimensional supramolecular architecture incorporating benzene-1,3-dicarboxylate and 1-[(1<i>H</i>-benzotriazol-1-yl)methyl]-1<i>H</i>-imidazole
Acta Crystallographica Section C, 2017, 73, 91-96
2020715 CIF
HKL
C20 H21 N2 O PP n a 2117.4366; 22.7127; 8.8598
90; 90; 90
3508.77Hamzehee, Farahnaz; Pourayoubi, Mehrdad; Nečas, Marek; Choquesillo-Lazarte, Duane
Extensive analysis of N—H···O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study
Acta Crystallographica Section C, 2017, 73
2020716 CIF
HKL
C16 H20 N O PP -4 21 c18.7952; 18.7952; 8.5279
90; 90; 90
3012.56Hamzehee, Farahnaz; Pourayoubi, Mehrdad; Nečas, Marek; Choquesillo-Lazarte, Duane
Extensive analysis of N—H···O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study
Acta Crystallographica Section C, 2017, 73
2020717 CIF
HKL
C22 H27 N2 O2 PP 21 21 215.3629; 13.726; 27.8653
90; 90; 90
2051.2Hamzehee, Farahnaz; Pourayoubi, Mehrdad; Nečas, Marek; Choquesillo-Lazarte, Duane
Extensive analysis of N—H···O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study
Acta Crystallographica Section C, 2017, 73
2020718 CIF
HKL
C20 H22 N O2 PP 1 21/c 16.0483; 18.854; 15.4364
90; 97.231; 90
1746.28Hamzehee, Farahnaz; Pourayoubi, Mehrdad; Nečas, Marek; Choquesillo-Lazarte, Duane
Extensive analysis of N—H···O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study
Acta Crystallographica Section C, 2017, 73
2020719 CIF
HKL
Paper
C54 H45 Cu F6 N5 P3P 1 21/n 113.0725; 12.3992; 30.0047
90; 99.734; 90
4793.4Báez-Castro, Alberto; Baldenebro-López, Jesús; Ceballos-Mendivil, Laura; Román-Bravo, Perla P.; Höpfl, Herbert; Miranda-Soto, Valentín; Glossman-Mitnik, Daniel; Cruz-Enríquez, Adriana; Campos-Gaxiola, José J.
Synthesis, crystal structure, DFT studies and photophysical properties of a copper(I)‒triphenylphosphane complex based on <i>trans</i>-(±)-2,4,5-tris(pyridin-2-yl)-2-imidazoline
Acta Crystallographica Section C, 2017, 73
2020720 CIF
HKL
Paper
C21 H19 F4 N3 O2 SP b c a19.7282; 9.7644; 20.7157
90; 90; 90
3990.5Sagar, Belakavadi K.; Harsha, Kachigere B.; Yathirajan, Hemmige S.; Rangappa, Kanchugarakoppal S.; Rathore, Ravindranath S.; Glidewell, Christopher
Three closely related 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridines: synthesis, molecular conformations and hydrogen bonding in zero, one and two dimensions
Acta Crystallographica Section C, 2017, 73, 298-304
2020721 CIF
HKL
Paper
C21 H19 Cl F3 N3 O2 SP 21 21 215.4468; 11.4102; 34.3009
90; 90; 90
2131.77Sagar, Belakavadi K.; Harsha, Kachigere B.; Yathirajan, Hemmige S.; Rangappa, Kanchugarakoppal S.; Rathore, Ravindranath S.; Glidewell, Christopher
Three closely related 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridines: synthesis, molecular conformations and hydrogen bonding in zero, one and two dimensions
Acta Crystallographica Section C, 2017, 73, 298-304
2020722 CIF
HKL
Paper
C22 H22 F3 N3 O2 SP 1 21/n 113.8408; 8.7145; 18.0898
90; 106.47; 90
2092.4Sagar, Belakavadi K.; Harsha, Kachigere B.; Yathirajan, Hemmige S.; Rangappa, Kanchugarakoppal S.; Rathore, Ravindranath S.; Glidewell, Christopher
Three closely related 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridines: synthesis, molecular conformations and hydrogen bonding in zero, one and two dimensions
Acta Crystallographica Section C, 2017, 73, 298-304
2020723 CIF
HKL
Paper
C19 H13 F OP -17.6678; 11.5007; 15.7874
96.249; 96.752; 90.796
1373.84Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher
Three closely related 1-(naphthalen-2-yl)prop-2-en-1-ones: pseudosymmetry, disorder and supramoleular assembly mediated by C—H···π and C—Br···π interactions
Acta Crystallographica Section C, 2017, 73, 115-120
2020724 CIF
HKL
Paper
C19 H13 Br OP -15.8714; 7.8616; 15.5954
95.007; 90.218; 92.179
716.58Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher
Three closely related 1-(naphthalen-2-yl)prop-2-en-1-ones: pseudosymmetry, disorder and supramoleular assembly mediated by C—H···π and C—Br···π interactions
Acta Crystallographica Section C, 2017, 73, 115-120
2020725 CIF
HKL
Paper
C17 H12 O SP -15.8271; 7.4489; 15.2068
79.745; 84.427; 85.763
645.36Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher
Three closely related 1-(naphthalen-2-yl)prop-2-en-1-ones: pseudosymmetry, disorder and supramoleular assembly mediated by C—H···π and C—Br···π interactions
Acta Crystallographica Section C, 2017, 73, 115-120
2020726 CIF
HKL
Paper
C20 H34 Cl6 Co3 N6 O2P -17.7669; 9.1516; 12.4114
99.665; 104.29; 93.968
837.1Stinghen, Danilo; Rüdiger, André Luis; Giese, Siddhartha O. K.; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L.
Cobalt(II) chloride adducts with acetonitrile, propan-2-ol and tetrahydrofuran: considerations on nuclearity, reactivity and synthetic applications
Acta Crystallographica Section C, 2017, 73, 104-114
2020727 CIF
HKL
Paper
C12 H32 Cl4 Co2 O4C 1 2/c 116.5619; 9.4778; 15.6842
90; 116.411; 90
2205Stinghen, Danilo; Rüdiger, André Luis; Giese, Siddhartha O. K.; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L.
Cobalt(II) chloride adducts with acetonitrile, propan-2-ol and tetrahydrofuran: considerations on nuclearity, reactivity and synthetic applications
Acta Crystallographica Section C, 2017, 73, 104-114
2020728 CIF
HKL
Paper
C16 H32 Cl4 Co2 O4P 1 21/c 114.733; 9.6318; 15.993
90; 93.737; 90
2264.7Stinghen, Danilo; Rüdiger, André Luis; Giese, Siddhartha O. K.; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L.
Cobalt(II) chloride adducts with acetonitrile, propan-2-ol and tetrahydrofuran: considerations on nuclearity, reactivity and synthetic applications
Acta Crystallographica Section C, 2017, 73, 104-114
2020729 CIF
HKL
Paper
C6 H14 N2 O4 SP 1 21/c 110.9626; 10.2601; 8.7673
90; 91.421; 90
985.82Gomathi, V.; Theivarasu, C.
Hydrogen-bonded assemblies in the molecular crystals of 2,2'-thiodiacetic acid with ethylenediamine and <i>o</i>-phenylenediamine
Acta Crystallographica Section C, 2017, 73, 97-103
2020730 CIF
HKL
Paper
C10 H14 N2 O4 SP 1 21/n 14.9006; 12.9808; 18.9837
90; 92.978; 90
1205.99Gomathi, V.; Theivarasu, C.
Hydrogen-bonded assemblies in the molecular crystals of 2,2'-thiodiacetic acid with ethylenediamine and <i>o</i>-phenylenediamine
Acta Crystallographica Section C, 2017, 73, 97-103
2020731 CIF
HKL
Paper
Cd23 Ce6 TeF m -3 m14.1632; 14.1632; 14.1632
90; 90; 90
2841.08Desroches, Griffen; Bobev, Svilen
Synthesis and structure determination of Ce~6~Cd~23~Te: a new chalcogen-containing member of the <i>RE</i>~6~Cd~23~T family (<i>RE</i> is a rare-earth metal and T is a late group 14, 15 and 16 element)
Acta Crystallographica Section C, 2017, 73, 121-125
2020732 CIF
HKL
Paper
C25.5 H28 N2 O7 SP 41 21 212.98; 12.98; 29.734
90; 90; 90
5009.6Wu, Yun-Deng; Zhang, Xiao-Lei; Liu, Xiao-Hong; Xu, Jian; Zhang, Mei; Shen, Kun; Zhang, Si-Han; He, Yong-Mei; Ma, Yan; Zhang, Ai-Hua
The preparation, characterization, structure and dissolution analysis of apremilast solvatomorphs
Acta Crystallographica Section C Structural Chemistry, 2017, 73
2020733 CIF
HKL
Paper
C23 H26 Cl2 N2 O7 SP 41 21 213.171; 13.171; 29.524
90; 90; 90
5122Wu, Yun-Deng; Zhang, Xiao-Lei; Liu, Xiao-Hong; Xu, Jian; Zhang, Mei; Shen, Kun; Zhang, Si-Han; He, Yong-Mei; Ma, Yan; Zhang, Ai-Hua
The preparation, characterization, structure and dissolution analysis of apremilast solvatomorphs
Acta Crystallographica Section C Structural Chemistry, 2017, 73
2020734 CIF
HKL
Paper
C24 H28 N2 O8 SP 41 21 213.0307; 13.0307; 29.754
90; 90; 90
5052.2Wu, Yun-Deng; Zhang, Xiao-Lei; Liu, Xiao-Hong; Xu, Jian; Zhang, Mei; Shen, Kun; Zhang, Si-Han; He, Yong-Mei; Ma, Yan; Zhang, Ai-Hua
The preparation, characterization, structure and dissolution analysis of apremilast solvatomorphs
Acta Crystallographica Section C Structural Chemistry, 2017, 73
2020735 CIF
HKL
C20 H18 Br2 Hg N10P b c n11.756; 11.764; 17.407
90; 90; 90
2407.3Wei, Xu; Li, Jian-Hua; Huang, Qiu-Ying; Meng, Xiang-Ru
Two new isostructural mercury(II) complexes involving the N-heterocyclic 1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole ligand: syntheses, structures and properties
Acta Crystallographica Section C, 2017, 73
2020736 CIF
HKL
C20 H18 Hg I2 N10P b c n12.103; 11.827; 17.862
90; 90; 90
2556.8Wei, Xu; Li, Jian-Hua; Huang, Qiu-Ying; Meng, Xiang-Ru
Two new isostructural mercury(II) complexes involving the N-heterocyclic 1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole ligand: syntheses, structures and properties
Acta Crystallographica Section C, 2017, 73
2020737 CIF
HKL
Paper
C30 H18 N4 SP 18.3617; 8.7261; 8.859
104.451; 94.187; 112.344
568.69Averkiev, Boris B.; Davydenko, Iryna; Wang, Xu; Barlow, Stephen; Marder, Seth R.
Crystal structure of 5,6-bis(9<i>H</i>-carbazol-9-yl)benzo[<i>c</i>][1,2,5]thiadiazole: distortion from a hypothetical higher-symmetry structure
Acta Crystallographica Section C, 2017, 73, 319-324
2020738 CIF
Paper
C30 H18.25 N4 O0.12 SC 1 2/c 128.338; 12.9466; 26.799
90; 113.336; 90
9027.8Averkiev, Boris B.; Davydenko, Iryna; Wang, Xu; Barlow, Stephen; Marder, Seth R.
Crystal structure of 5,6-bis(9<i>H</i>-carbazol-9-yl)benzo[<i>c</i>][1,2,5]thiadiazole: distortion from a hypothetical higher-symmetry structure
Acta Crystallographica Section C, 2017, 73, 319-324
2020740 CIF
HKL
Paper
C6 H9 As Cl N O3P 1 21/c 116.6534; 7.4129; 7.6073
90; 97.795; 90
930.44Smith, Graham; Wermuth, Urs D.
Unusual 4-arsonoanilinium cationic species in the hydrochloride salt of (4-aminophenyl)arsonic acid and formed in the reaction of the acid with copper(II) sulfate, copper(II) chloride and cadmium chloride
Acta Crystallographica Section C, 2017, 73
2020741 CIF
HKL
Paper
C12 H34 As2 Cu N2 O22 S2P 1 21/c 115.0784; 11.2302; 8.6756
90; 99.305; 90
1449.74Smith, Graham; Wermuth, Urs D.
Unusual 4-arsonoanilinium cationic species in the hydrochloride salt of (4-aminophenyl)arsonic acid and formed in the reaction of the acid with copper(II) sulfate, copper(II) chloride and cadmium chloride
Acta Crystallographica Section C, 2017, 73
2020742 CIF
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C12 H18 As2 Cl4 Cu N2 O6P b c a7.6315; 7.1244; 38.0925
90; 90; 90
2071.08Smith, Graham; Wermuth, Urs D.
Unusual 4-arsonoanilinium cationic species in the hydrochloride salt of (4-aminophenyl)arsonic acid and formed in the reaction of the acid with copper(II) sulfate, copper(II) chloride and cadmium chloride
Acta Crystallographica Section C, 2017, 73
2020743 CIF
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C12 H18 As2 Cd Cl4 N2 O6P b c a7.5525; 7.2578; 38.5872
90; 90; 90
2115.14Smith, Graham; Wermuth, Urs D.
Unusual 4-arsonoanilinium cationic species in the hydrochloride salt of (4-aminophenyl)arsonic acid and formed in the reaction of the acid with copper(II) sulfate, copper(II) chloride and cadmium chloride
Acta Crystallographica Section C, 2017, 73
2020745 CIF
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Paper
C9 H10 Cl F4 N OP 1 21/c 14.7874; 8.2086; 27.2894
90; 92.803; 90
1071.13Lu, Norman; Wei, Rong-Jyun; Lin, Kwan-Yu; Alagesan, Mani; Wen, Yuh-Sheng; Liu, Ling-Kang
Weak hydrogen bonding and fluorous interactions in the chloride and bromide salts of 4-[(2,2,3,3-tetrafluoropropoxy)methyl]pyridinium
Acta Crystallographica Section C, 2017, 73
2020746 CIF
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C9 H10 Br F4 N OP 1 21/c 14.7977; 8.3123; 27.739
90; 92.646; 90
1105.05Lu, Norman; Wei, Rong-Jyun; Lin, Kwan-Yu; Alagesan, Mani; Wen, Yuh-Sheng; Liu, Ling-Kang
Weak hydrogen bonding and fluorous interactions in the chloride and bromide salts of 4-[(2,2,3,3-tetrafluoropropoxy)methyl]pyridinium
Acta Crystallographica Section C, 2017, 73
2020747 CIF
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Al4 Li9 Sn5P -3 m 14.717; 4.717; 17.077
90; 90; 120
329.06Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Tarasiuk, Ivan; Ehrenberg, Helmut
Li~9~Al~4~Sn~5~ as a new ordered superstructure of the Li~13~Sn~5~ type
Acta Crystallographica Section C, 2017, 73
2020748 CIF
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C15 H8 Cl Mn N2 O3 SP 1 21/c 115.008; 11.798; 9.0384
90; 106.756; 90
1532.4Stenger-Smith, Jenny; Chakraborty, Indranil; Carrington, Samantha; Mascharak, Pradip
Synthesis and structures of photoactive manganese‒carbonyl complexes derived from 2-(pyridin-2-yl)-1,3-benzothiazole and 2-(quinolin-2-yl)-1,3-benzothiazole
Acta Crystallographica Section C, 2017, 73
2020749 CIF
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C19 H10 Cl Mn N2 O3 SP 1 21/n 19.1239; 16.4292; 12.2101
90; 96.737; 90
1817.64Stenger-Smith, Jenny; Chakraborty, Indranil; Carrington, Samantha; Mascharak, Pradip
Synthesis and structures of photoactive manganese‒carbonyl complexes derived from 2-(pyridin-2-yl)-1,3-benzothiazole and 2-(quinolin-2-yl)-1,3-benzothiazole
Acta Crystallographica Section C, 2017, 73
2020757 CIF
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C14 H36 Cl2 Co N4 O2P 1 21/c 18.2864; 17.0679; 13.9733
90; 90.735; 90
1976.1Van Heuvelen, Katherine M.; Lee, Isabell; Arriola, Katherine; Griffin, Rilke; Ye, Christopher; Takase, Michael K.
Crystal structure and spectroscopic characterization of a cobalt(II) tetraazamacrocycle: completing a series of first-row transition-metal complexes
Acta Crystallographica Section C, 2017, 73
2020758 CIF
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Paper
C16 H14 B Li O7P 1 21 16.5592; 9.1328; 13.7163
90; 93.9; 90
819.76Wong, Lawrence W.-Y.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Williams, Ian D.
Chiral bis(mandelato)borate salts for resolution <i>via</i> metathesis crystallization
Acta Crystallographica Section C, 2017, 73
2020759 CIF
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Paper
C16 H16 B N O6P 1 21 17.49015; 8.24219; 13.275
90; 92.8753; 90
818.5Wong, Lawrence W.-Y.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Williams, Ian D.
Chiral bis(mandelato)borate salts for resolution <i>via</i> metathesis crystallization
Acta Crystallographica Section C, 2017, 73
2020760 CIF
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C32 H48 B N O6P 21 21 219.0372; 15.5934; 44.5357
90; 90; 90
6276Wong, Lawrence W.-Y.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Williams, Ian D.
Chiral bis(mandelato)borate salts for resolution <i>via</i> metathesis crystallization
Acta Crystallographica Section C, 2017, 73
2020761 CIF
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Paper
C16 H20 Br2 Cu N4 O2P -19.0673; 10.1144; 11.7417
69.013; 77.791; 81.901
980.2Smolentsev, Anton I.
Copper(II) bromide, nitrate and perchlorate complexes with sterically demanding <i>N</i>-(6-methylpyridin-2-yl)acetamide ligands
Acta Crystallographica Section C, 2017, 73
2020762 CIF
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Paper
C16 H22 Cu N6 O9P b c n13.3089; 8.4494; 18.535
90; 90; 90
2084.3Smolentsev, Anton I.
Copper(II) bromide, nitrate and perchlorate complexes with sterically demanding <i>N</i>-(6-methylpyridin-2-yl)acetamide ligands
Acta Crystallographica Section C, 2017, 73
2020763 CIF
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C16 H22 Cl2 Cu N4 O11C 1 2/c 118.7332; 8.2315; 15.7876
90; 109.1; 90
2300.46Smolentsev, Anton I.
Copper(II) bromide, nitrate and perchlorate complexes with sterically demanding <i>N</i>-(6-methylpyridin-2-yl)acetamide ligands
Acta Crystallographica Section C, 2017, 73
2020764 CIF
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C18 H21 N3 O15 S2C 1 2/c 119.951; 11.7885; 20.891
90; 105.625; 90
4731.8Truong, Khai-Nghi; Lothmann, Niklas; Englert, Ulli
A whole zoo of hydrogen bonds in one crystal structure: tris(isonicotinium) hydrogensulfate sulfate monohydrate
Acta Crystallographica Section C, 2017, 73, 525-530
2020765 CIF
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Paper
C12 H10 Cl N5 O6P -17.1403; 8.6745; 11.573
93.721; 93.714; 104.23
690.94Mohana, Marimuthu; Thomas Muthiah, Packianathan; Butcher, Ray J.
Supramolecular interactions in carboxylate and sulfonate salts of 2,6-diamino-4-chloropyrimidinium
Acta Crystallographica Section C, 2017, 73, 536-540
2020766 CIF
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C11 H15 Cl N4 O4 SP -16.54; 7.2557; 15.7696
81.617; 89.511; 74.154
711.79Mohana, Marimuthu; Thomas Muthiah, Packianathan; Butcher, Ray J.
Supramolecular interactions in carboxylate and sulfonate salts of 2,6-diamino-4-chloropyrimidinium
Acta Crystallographica Section C, 2017, 73, 536-540
2020767 CIF
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C12 H11 F N2 O4P 1 21/c 113.6345; 6.9015; 12.6905
90; 105.429; 90
1151.1Mohana, Marimuthu; Muthiah, Packianathan Thomas; McMillen, Colin D.
Supramolecular hydrogen-bonding patterns in 1:1 cocrystals of 5-fluorouracil with 4-methylbenzoic acid and 3-nitrobenzoic acid
Acta Crystallographica Section C, 2017, 73, 259-263
2020768 CIF
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C11 H8 F N3 O6P -15.9011; 9.795; 11.674
110.76; 91.84; 99.59
619.1Mohana, Marimuthu; Muthiah, Packianathan Thomas; McMillen, Colin D.
Supramolecular hydrogen-bonding patterns in 1:1 cocrystals of 5-fluorouracil with 4-methylbenzoic acid and 3-nitrobenzoic acid
Acta Crystallographica Section C, 2017, 73, 259-263
2020769 CIF
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Paper
C10 H30 Mn N6 O4P -18.386; 9.1422; 12.9405
69.526; 87.16; 76.788
904.33Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.
The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)
Acta Crystallographica Section C, 2017, 73, 442-446
2020770 CIF
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C10 H30 Fe N6 O4P -18.3426; 9.1332; 12.8165
70.423; 86.074; 75.628
891.19Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.
The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)
Acta Crystallographica Section C, 2017, 73, 442-446
2020771 CIF
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C10 H30 Co N6 O4P -18.3029; 9.1295; 12.7175
71.021; 85.776; 75.146
881.08Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.
The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)
Acta Crystallographica Section C, 2017, 73, 442-446
2020772 CIF
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C10 H30 N6 Ni O4P -18.2974; 9.0619; 12.5998
71.96; 85.204; 74.321
867.3Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.
The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)
Acta Crystallographica Section C, 2017, 73, 442-446
2020773 CIF
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C10 H30 Cu N6 O4P -18.2953; 8.9144; 12.7148
75.244; 85.082; 71.226
860.84Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.
The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)
Acta Crystallographica Section C, 2017, 73, 442-446
2020774 CIF
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C10 H30 N6 O4 ZnP -18.3223; 9.1059; 12.7492
70.855; 85.8; 75.434
883.34Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R.
The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn)
Acta Crystallographica Section C, 2017, 73, 442-446
2020775 CIF
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Paper
C62 H40 Mg N6 O18P -19.2595; 10.2711; 16.0049
96.056; 92.679; 115.714
1356.47Liu, Jian-Jun; Liu, Teng; Huang, Chang-Cang
Synthesis and characterization of a photochromic magnesium(II) coordination polymer based on a naphthalene diimide ligand
Acta Crystallographica Section C, 2017, 73, 437-441
2020776 CIF
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Paper
C62 H58 Cl2 Co2 N6 O18 P2P 1 21/c 111.0638; 14.0258; 20.8917
90; 101.59; 90
3175.84Anjana, S. S.; Varghese, Babu; Prasad, Edamana
Dinuclear cobalt(II) complexes with double phosphate ester bridges and tetradentate ligands having anisole or quinoline appendages
Acta Crystallographica Section C, 2017, 73, 492-497
2020777 CIF
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Paper
C66 H56 Cl2 Co2 N8 O16 P2P 1 21/c 113.0021; 12.8075; 19.8373
90; 93.008; 90
3298.84Anjana, S. S.; Varghese, Babu; Prasad, Edamana
Dinuclear cobalt(II) complexes with double phosphate ester bridges and tetradentate ligands having anisole or quinoline appendages
Acta Crystallographica Section C, 2017, 73, 492-497
2020778 CIF
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Paper
C90 H68 Ca O29 Zn6I 41/a33.1506; 33.1506; 16.6829
90; 90; 90
18333.9Guo, Pei-Ying; Ma, De-Yun; Guo, Hai-Fu
A twofold interpenetrating three-dimensional heterometallic metal‒organic framework with pcu topology based on 2-methylbiphenyl-4,4'-dicarboxylic acid
Acta Crystallographica Section C, 2017, 73, 470-475
2020779 CIF
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C18 H26 Ag2 N10 O6 S3P 1 21/n 18.3665; 23.1277; 13.5984
90; 98.221; 90
2604.2Fu, Wei-Wei; Li, Juan; Liu, Shu-Ting; Zhao, Dan; Zhou, Xue; Tong, Yang
A one-dimensional silver(I) coordination polymer based on 5-methyl-1,3,4-thiadiazol-2-amine and pyridine-2,3-dicarboxylate
Acta Crystallographica Section C, 2017, 73, 498-502
2020780 CIF
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Paper
C24 H10 Cd F10 N2 O5P 1 21/c 112.9134; 21.035; 9.1946
90; 93.696; 90
2492.4Kong, Ya-Jie; Li, Peng; Han, Li-Juan; Fan, Lu-Tong; Li, Peng-Peng; Yin, Shuang
Two cadmium(II) fluorous coordination compounds tuned by different bipyridines
Acta Crystallographica Section C, 2017, 73, 424-429
2020781 CIF
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C24 H12 Cd F10 N2 O6C 1 2/c 121.402; 11.711; 10.955
90; 106.639; 90
2630.8Kong, Ya-Jie; Li, Peng; Han, Li-Juan; Fan, Lu-Tong; Li, Peng-Peng; Yin, Shuang
Two cadmium(II) fluorous coordination compounds tuned by different bipyridines
Acta Crystallographica Section C, 2017, 73, 424-429
2020782 CIF
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C10 H28 Cu N2 O8P 1 21/c 115.7523; 7.1201; 15.954
90; 112.709; 90
1650.65Şen, Fatih; Kansiz, Sevgi; Uçar, İbrahim
A one-dimensional copper(II) coordination polymer incorporating succinate and <i>N</i>,<i>N</i>-diethylethylenediamine ligands: crystallographic analysis, vibrational and surface features, and DFT analysis
Acta Crystallographica Section C, 2017, 73, 517-524
2020783 CIF
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Paper
C20 H20 N2 O4P 1 21 15.3048; 31.891; 10.508
90; 98.184; 90
1759.6Kerr, Hannah E.; Softley, Lorna K.; Suresh, Kuthuru; Hodgkinson, Paul; Evans, Ivana Radosavljevic
Structure and physicochemical characterization of a naproxen‒picolinamide cocrystal
Acta Crystallographica Section C, 2017, 73, 168-175
2020784 CIF
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C26 H17 N5 O2 S2P 1 21/n 17.1707; 22.8006; 13.8237
90; 97.047; 90
2243.05Pöppler, Ann-Christin; Corlett, Emily K.; Pearce, Harriet; Seymour, Mark P.; Reid, Matthew; Montgomery, Mark G.; Brown, Steven P.
Single-crystal X-ray diffraction and NMR crystallography of a 1:1 cocrystal of dithianon and pyrimethanil
Acta Crystallographica Section C, 2017, 73, 149-156
2020785 CIF
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C13 H13 Cl2 N5 O2I 41/a19.513; 19.513; 17.613
90; 90; 90
6706Freire, Eleonora; Echeverría, Gustavo A.; Baggio, Ricardo
Lamotriginium crotonate and lamotriginium salicylate ethanol monosolvate: the role of solvent molecules in the packing organization
Acta Crystallographica Section C, 2017, 73, 563-568
2020786 CIF
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C18 H19 Cl2 N5 O4P -17.9389; 12.2938; 12.3282
61.781; 79.379; 72.313
1008.91Freire, Eleonora; Echeverría, Gustavo A.; Baggio, Ricardo
Lamotriginium crotonate and lamotriginium salicylate ethanol monosolvate: the role of solvent molecules in the packing organization
Acta Crystallographica Section C, 2017, 73, 563-568
2020787 CIF
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C49 H41 Cu F6 N O2 P3P 1 21/n 110.5376; 21.5025; 19.9462
90; 99.079; 90
4462.9Shou, Rong-Er; Song, Li; Chai, Wen-Xiang; Qin, Lai-Shun; Wang, Tian-Gen
A new phosphorescent heteroleptic cuprous complex with a neutral 2-methylquinolin-8-ol ligand: synthesis, structure characterization, properties and TD‒DFT calculations
Acta Crystallographica Section C, 2017, 73, 486-491
2020788 CIF
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Paper
C44 H52 Cu4 N4 O12P 1 21/c 116.2592; 14.2078; 9.256
90; 92.527; 90
2136.13Gungor, Elif
A new stepped tetranuclear copper(II) complex: synthesis, crystal structure and photoluminescence properties
Acta Crystallographica Section C, 2017, 73, 393-398
2020789 CIF
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Paper
C18 H12 N2 OP 1 21/c 113.304; 5.1796; 19.6396
90; 95.143; 90
1347.9Su, Yan-Xiao; Zhang, Chao-Zhi; Song, Ming-Xia
Optical properties of (<i>Z</i>)-2-(2-phenylhydrazinylidene)acenaphthen-1(2<i>H</i>)-one: a potential electron donor in organic solar cells
Acta Crystallographica Section C, 2017, 73, 458-463
2020790 CIF
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Paper
C3 H18 F6 N9 VP a -314.095; 14.095; 14.095
90; 90; 90
2800.2Black, Cameron; Lightfoot, Philip
Crystal structure of guanidinium hexafluoridovanadate(III), (CN~3~H~6~)~3~[VF~6~]: an unusual hybrid compound related to perovskite
Acta Crystallographica Section C, 2017, 73, 244-246
2020791 CIF
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Paper
C32 H22 N4 O4 S4P 1 2/c 113.1813; 7.2661; 15.6283
90; 96.933; 90
1485.88Zarei, Seyed Amir; Piltan, Mohammad; Mashhun, Asmar; Rudbari, Hadi Amiri; Bruno, Giuseppe
2,2'-[(Disulfanediyl)bis{5-[(1<i>E</i>)-(2-hydroxybenzylidene)amino]-1,3-thiazole-4,2-diyl}]diphenol: synthesis, crystal structure and calculation of molecular hyperpolarizability
Acta Crystallographica Section C, 2017, 73
2020792 CIF
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Paper
C16 H14 F4 N2 O4 SP -17.0975; 7.9093; 16.9976
86.16; 83.141; 66.564
869Lu, Norman; Chiang, Hsing-Fang; Wei, Rong-Jyun; Wen, Yuh-Sheng; Liu, Ling-Kang
Molecular structures of 3-[(2,2,3,3-tetrafluoropropoxy)methyl]- and 3-[(2,2,3,3,3-pentafluoropropoxy)methyl]pyridinium saccharinates
Acta Crystallographica Section C, 2017, 73
2020793 CIF
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C16 H13 F5 N2 O4 SI -421.6747; 21.6747; 7.285
90; 90; 90
3422.44Lu, Norman; Chiang, Hsing-Fang; Wei, Rong-Jyun; Wen, Yuh-Sheng; Liu, Ling-Kang
Molecular structures of 3-[(2,2,3,3-tetrafluoropropoxy)methyl]- and 3-[(2,2,3,3,3-pentafluoropropoxy)methyl]pyridinium saccharinates
Acta Crystallographica Section C, 2017, 73
2020794 CIF
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C22 H28 N2 O4P 21 21 215.0591; 16.7533; 23.5587
90; 90; 90
1996.76Georgilis, Evangelos; Gessmann, Renate; Mitraki, Anna; Petratos, Kyriacos
Diphenylalanine in tetrahydrofuran: a highly potent candidate for the development of novel nanomaterials
Acta Crystallographica Section C, 2017, 73, 447-450
2020795 CIF
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C22 H28 N2 O4P 21 21 215.0827; 16.7903; 24.0532
90; 90; 90
2052.7Georgilis, Evangelos; Gessmann, Renate; Mitraki, Anna; Petratos, Kyriacos
Diphenylalanine in tetrahydrofuran: a highly potent candidate for the development of novel nanomaterials
Acta Crystallographica Section C, 2017, 73, 447-450
2020796 CIF
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Paper
C27 H25 N5P 1 21/c 18.1493; 8.5209; 34.4887
90; 96.648; 90
2378.8Bu, Fan-Zhi; Tan, Xue-Jie; Xing, Dian-Xiang; Wang, Chao
Design, synthesis, crystal structure and <i>in vitro</i> cytotoxic properties of a novel Schiff base derived from indole and biphenyl
Acta Crystallographica Section C, 2017, 73, 546-555
2020797 CIF
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Paper
C24 H32 Cl2 O2 Sc2P 1 21/n 19.3324; 10.754; 12.2892
90; 111.349; 90
1148.72Zhou, Zheng; Greenough, Joshua; Wei, Zheng; Petrukhina, Marina A.
The dinuclear scandium(III) cyclooctatetraenyl chloride complex di-μ-chlorido-bis[(η^8^-cyclooctatetraene)(tetrahydrofuran-κ<i>O</i>)scandium(III)]
Acta Crystallographica Section C, 2017, 73, 420-423
2020798 CIF
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Paper
C33 H27 Br O6P -18.4269; 12.4905; 15.1415
66.53; 76.005; 85.473
1418.22Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan; Karthik, Govindaraju; Reddy, Basi Venkata Subba
Three isostructural solvates of a tetrahydrofurochromenone derivative
Acta Crystallographica Section C, 2017, 73, 407-413
2020799 CIF
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Paper
C34 H29 Br O6P -18.3989; 12.5415; 15.2195
67.408; 76.135; 85.458
1436.85Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan; Karthik, Govindaraju; Reddy, Basi Venkata Subba
Three isostructural solvates of a tetrahydrofurochromenone derivative
Acta Crystallographica Section C, 2017, 73, 407-413
2020800 CIF
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Paper
C35 H31 Br O6P -18.2587; 12.7841; 15.6238
66.446; 76.634; 86.03
1470.67Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan; Karthik, Govindaraju; Reddy, Basi Venkata Subba
Three isostructural solvates of a tetrahydrofurochromenone derivative
Acta Crystallographica Section C, 2017, 73, 407-413
2020801 CIF
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Paper
C8 H20 Mn O18 UP -16.997; 7.185; 11.043
106.356; 93.891; 115.13
470.9Ridenour, J. August; Pyrch, Mikaela M.; Manning, Zachery J.; Bertke, Jeffery A.; Cahill, Christopher L.
Two novel bimetallic transition metal‒uranyl one-dimensional coordination polymers with manganese(II) and cobalt(II) incorporating bridging diglycolate (2,2′-oxydiacetate) ligands
Acta Crystallographica Section C Structural Chemistry, 2017, 73
2020802 CIFC8 H20 Co O18 UP -16.997; 7.185; 11.043
106.356; 93.891; 115.13
470.9Ridenour, J. August; Pyrch, Mikaela M.; Manning, Zachery J.; Bertke, Jeffery A.; Cahill, Christopher L.
Two novel bimetallic transition metal‒uranyl one-dimensional coordination polymers with manganese(II) and cobalt(II) incorporating bridging diglycolate (2,2′-oxydiacetate) ligands
Acta Crystallographica Section C Structural Chemistry, 2017, 73
2020803 CIF
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C22 H30 O9P 21 21 219.1605; 13.8069; 16.8625
90; 90; 90
2132.74Paz, Cristian; von Dossow, Daniela; Tiznado, Victor; Suarez, Sebastián; Cukiernik, Fabio D.; Baggio, Ricardo
A dihydro-β-agarofuran sesquiterpene from <i>Maytenus boaria</i>
Acta Crystallographica Section C, 2017, 73, 451-457
2020804 CIF
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Paper
H20 Mg Na2 O18 Se2P 1 21/c 112.671; 6.61; 10.2706
90; 106.64; 90
824.19Kamburov, Stoyan; Schmidt, Horst; Voigt, Wolfgang; Balarew, Christo
Crystal structures of sodium magnesium selenate decahydrate, Na~2~Mg(SeO~4~)~2~·10H~2~O, a new selenate salt, and sodium magnesium selenate dihydrate, Na~2~Mg(SeO~4~)~2~·2H~2~O
Acta Crystallographica Section C, 2017, 73, 582-587
2020805 CIF
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Paper
H4 Mg Na2 O10 Se2P -15.556; 5.923; 7.224
108.36; 99.07; 106.63
208Kamburov, Stoyan; Schmidt, Horst; Voigt, Wolfgang; Balarew, Christo
Crystal structures of sodium magnesium selenate decahydrate, Na~2~Mg(SeO~4~)~2~·10H~2~O, a new selenate salt, and sodium magnesium selenate dihydrate, Na~2~Mg(SeO~4~)~2~·2H~2~O
Acta Crystallographica Section C, 2017, 73, 582-587
2020806 CIF
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Paper
C27 H32 N2 O3P 21 21 219.9801; 18.854; 26.1414
90; 90; 90
4918.9Kramer, Philipp; Bolte, Michael
Synthesis and crystal structures of two structurally related kryptoracemates
Acta Crystallographica Section C, 2017, 73, 575-581
2020807 CIF
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Paper
C25.5 H29 Cl N2 O3P 110.1501; 14.8556; 17.662
109.248; 97.929; 91.214
2483.9Kramer, Philipp; Bolte, Michael
Synthesis and crystal structures of two structurally related kryptoracemates
Acta Crystallographica Section C, 2017, 73, 575-581
2020808 CIF
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C9 H6 Br F N2 O4 SP -16.8884; 9.5036; 9.618
73.608; 87.634; 69.969
566.43Mohana, Marimuthu; Thomas Muthiah, Packianathan; McMillen, Colin D.
Supramolecular architectures in two 1:1 cocrystals of 5-fluorouracil with 5-bromothiophene-2-carboxylic acid and thiophene-2-carboxylic acid
Acta Crystallographica Section C, 2017, 73, 481-485
2020809 CIF
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C9 H7 F N2 O4 SP -16.8304; 7.0075; 12.3042
93.348; 103.091; 115.566
509.22Mohana, Marimuthu; Thomas Muthiah, Packianathan; McMillen, Colin D.
Supramolecular architectures in two 1:1 cocrystals of 5-fluorouracil with 5-bromothiophene-2-carboxylic acid and thiophene-2-carboxylic acid
Acta Crystallographica Section C, 2017, 73, 481-485
2020810 CIF
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C49 H37 Cl7 N4 O4 S4P -110.242; 11.807; 22.297
80.453; 84.916; 64.733
2404.1Wickham, Laura M.; Tanski, Joseph M.; Nadeau, Jocelyn M.
Crystal structure of a fluorescent C-shaped molecule containing closely stacked bithiophene-substituted quinoxaline rings
Acta Crystallographica Section C, 2017, 73, 276-279
2020811 CIF
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C46 H40 Cl2 Co N16 O10P 1 21/n 19.54931; 16.1513; 14.5715
90; 91.2561; 90
2246.88Wang, Xue-Ru; Ma, Jian-Ping; Dong, Yu-Bin
Syntheses and structures of two new coordination polymers generated from a 4-aminotriazole-bridged organic ligand and Co^II^ salts
Acta Crystallographica Section C, 2017, 73, 247-253
2020812 CIF
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C22 H16 Cl2 Co N8P 1 21/c 120.4923; 7.4278; 13.9819
90; 94.891; 90
2120.47Wang, Xue-Ru; Ma, Jian-Ping; Dong, Yu-Bin
Syntheses and structures of two new coordination polymers generated from a 4-aminotriazole-bridged organic ligand and Co^II^ salts
Acta Crystallographica Section C, 2017, 73, 247-253
2020813 CIF
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C14 H21 N O4P 1 21 18.7136; 6.3606; 13.3613
90; 100.22; 90
728.78Żesławska, Ewa; Jakubowska, Anna; Nitek, Wojciech
Conformational study of the 3,6-dihydro-2<i>H</i>-1,4-oxazin-2-one fragment in 8-<i>tert</i>-butyl-7-methoxy-8-methyl-9-oxa-6-azaspiro[4.5]decane-2,10-dione stereoisomers
Acta Crystallographica Section C, 2017, 73, 556-562
2020814 CIF
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C14 H21 N O4P 1 21 18.7007; 6.3466; 13.3458
90; 100.243; 90
725.21Żesławska, Ewa; Jakubowska, Anna; Nitek, Wojciech
Conformational study of the 3,6-dihydro-2<i>H</i>-1,4-oxazin-2-one fragment in 8-<i>tert</i>-butyl-7-methoxy-8-methyl-9-oxa-6-azaspiro[4.5]decane-2,10-dione stereoisomers
Acta Crystallographica Section C, 2017, 73, 556-562
2020815 CIF
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C32 H55 O5.5C 1 2 129.0091; 7.7205; 29.9984
90; 114.524; 90
6112.5Liu, Juan; Xu, Yang-Rong; An, Xing-Si; Hou, Gui-Ge; Meng, Qing-Guo
Synthesis and crystal structures of a 3-acetylated (20<i>S</i>,24<i>S</i>)-ocotillol-type saponin and its C-24 epimer
Acta Crystallographica Section C, 2017, 73, 464-469
2020816 CIF
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C33 H57 O5.5P 1 21 117.9895; 8.2912; 22.7981
90; 108.343; 90
3227.7Liu, Juan; Xu, Yang-Rong; An, Xing-Si; Hou, Gui-Ge; Meng, Qing-Guo
Synthesis and crystal structures of a 3-acetylated (20<i>S</i>,24<i>S</i>)-ocotillol-type saponin and its C-24 epimer
Acta Crystallographica Section C, 2017, 73, 464-469
2020817 CIF
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C32 H54 O5P 1 21 110.91; 8.037; 17.018
90; 92.5; 90
1490.8Liu, Juan; Xu, Yang-Rong; An, Xing-Si; Hou, Gui-Ge; Meng, Qing-Guo
Synthesis and crystal structures of a 3-acetylated (20<i>S</i>,24<i>S</i>)-ocotillol-type saponin and its C-24 epimer
Acta Crystallographica Section C, 2017, 73, 464-469
2020818 CIF
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C10 H4 O9 Sr2C 1 2/c 18.1694; 17.2478; 7.7689
90; 97.521; 90
1085.25Trifa, Chahrazed; Mokhtari, Samia; Bouacida, Sofiane; Boudaren, Chaouki; Boudraa, Mhamed; Merazig, Hocine
A novel three-dimensional Sr^II^ coordination polymer based on benzene-1,2,4,5-tetracarboxylate: hydrothermal synthesis, crystal structure and spectroscopic and thermal studies
Acta Crystallographica Section C, 2017, 73, 369-375
2020819 CIF
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C30 H44 Fe N10 O8P 1 21/c 18.73056; 11.7379; 17.619
90; 102.142; 90
1765.17Tanaka, Rikako; Matsushita, Nobuyuki
A charge-transfer salt composed of methyl viologen and hexacyanidoferrate(II)
Acta Crystallographica Section C, 2017, 73, 476-480
2020820 CIF
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C22 H43 Cl Fe N O P3P 1 21/c 117.0243; 10.494; 15.1374
90; 109.09; 90
2555.6Holland, Amanda M.; Oliver, Allen G.; Iluc, Vlad M.
Iron pyrrole-based PNP pincer ligand complexes as catalyst precursors
Acta Crystallographica Section C, 2017, 73, 569-574
2020821 CIF
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C23 H39 Cl Fe N2 P2P 1 21/n 17.6074; 18.2229; 19.1442
90; 92.3658; 90
2651.7Holland, Amanda M.; Oliver, Allen G.; Iluc, Vlad M.
Iron pyrrole-based PNP pincer ligand complexes as catalyst precursors
Acta Crystallographica Section C, 2017, 73, 569-574
2020822 CIF
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C20 H34 Cl Fe N O2 P2P 1 21/c 113.7917; 14.6349; 11.2225
90; 90.729; 90
2265Holland, Amanda M.; Oliver, Allen G.; Iluc, Vlad M.
Iron pyrrole-based PNP pincer ligand complexes as catalyst precursors
Acta Crystallographica Section C, 2017, 73, 569-574
2020823 CIF
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C34 H26 Cd N2 O7P -18.073; 12.4019; 15.2718
106.744; 101.979; 96.647
1406.93Xie, Hua; Fang, Wang-Jian; Yao, Xiao-Qiang
A cadmium(II) coordination polymer with both polyrotaxane and polycatenane features constructed by a V-shaped semi-rigid ligand: synthesis and fluorescence properties
Acta Crystallographica Section C, 2017, 73, 541-545
2020824 CIF
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C14 H12 F3 I3 N2P 1 21/c 17.9818; 26.7046; 9.222
90; 115.398; 90
1775.69Szell, Patrick M. J.; Gabriel, Shaina A.; Gill, Russell D. D.; Wan, Shirley Y. H.; Gabidullin, Bulat; Bryce, David L.
^13^C and ^19^F solid-state NMR and X-ray crystallographic study of halogen-bonded frameworks featuring nitrogen-containing heterocycles
Acta Crystallographica Section C, 2017, 73, 157-167
2020825 CIF
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C19 H9 F3 I3 NP 1 21/c 110.5079; 12.5632; 15.1563
90; 102.49; 90
1953.47Szell, Patrick M. J.; Gabriel, Shaina A.; Gill, Russell D. D.; Wan, Shirley Y. H.; Gabidullin, Bulat; Bryce, David L.
^13^C and ^19^F solid-state NMR and X-ray crystallographic study of halogen-bonded frameworks featuring nitrogen-containing heterocycles
Acta Crystallographica Section C, 2017, 73, 157-167
2020826 CIF
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C18 H8 F3 I3 N2P 1 21/c 18.6445; 14.0472; 15.8147
90; 97.662; 90
1903.25Szell, Patrick M. J.; Gabriel, Shaina A.; Gill, Russell D. D.; Wan, Shirley Y. H.; Gabidullin, Bulat; Bryce, David L.
^13^C and ^19^F solid-state NMR and X-ray crystallographic study of halogen-bonded frameworks featuring nitrogen-containing heterocycles
Acta Crystallographica Section C, 2017, 73, 157-167
2020827 CIF
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C24 H18 Cu N2 O6P 1 21/c 111.731; 14.274; 13.211
90; 100.862; 90
2172.5Tang, Long; Zhang, Juan; Liu, Xiao-Xia; Wang, Ji-Jiang; Fu, Feng
A two-dimensional copper(II) coordination polymer based on 2,4′-oxybis(benzoate) and 4,4′-bipyridine
Acta Crystallographica Section C Structural Chemistry, 2017, 73
2020832 CIF
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C38 H35 N O2 P2P 1 21 111.7931; 10.4209; 14.0792
90; 111.081; 90
1614.46Balogh, Szabolcs; Farkas, Gergely; Holczbauer, Tamás; Bakos, József
Origin of the chemical stability of phosphine-phosphoramidites: structural study of an UPPhos-type crystal and application of UPPhos in the asymmetric hydrogenation of imines
Acta Crystallographica Section C, 2017, 73
2020833 CIF
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C15 H9 Cr F O3P 1 21/c 17.0166; 27.4725; 7.1101
90; 113.738; 90
1254.61Guzei, Ilia A.; Spencer, Lara C.; Buechel, Sondra C.; Kaufmann, Leah B.; Czerwinski, Curtis J.
Intricacies of ligand coordination in tricarbonylchromium(0) complexes with <i>ortho</i>- and <i>para</i>-fluorobiphenyls
Acta Crystallographica Section C, 2017, 73
2020834 CIF
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C15 H9 Cr F O3P 1 21/c 17.0616; 28.3503; 7.0571
90; 114.324; 90
1287.41Guzei, Ilia A.; Spencer, Lara C.; Buechel, Sondra C.; Kaufmann, Leah B.; Czerwinski, Curtis J.
Intricacies of ligand coordination in tricarbonylchromium(0) complexes with <i>ortho</i>- and <i>para</i>-fluorobiphenyls
Acta Crystallographica Section C, 2017, 73
2020835 CIF
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C12 H9 FF d d 212.9824; 23.0588; 5.7527
90; 90; 90
1722.1Guzei, Ilia A.; Spencer, Lara C.; Buechel, Sondra C.; Kaufmann, Leah B.; Czerwinski, Curtis J.
Intricacies of ligand coordination in tricarbonylchromium(0) complexes with <i>ortho</i>- and <i>para</i>-fluorobiphenyls
Acta Crystallographica Section C, 2017, 73
2020836 CIF
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C12 H9 FP b c n5.6462; 20.739; 7.292
90; 90; 90
853.9Guzei, Ilia A.; Spencer, Lara C.; Buechel, Sondra C.; Kaufmann, Leah B.; Czerwinski, Curtis J.
Intricacies of ligand coordination in tricarbonylchromium(0) complexes with <i>ortho</i>- and <i>para</i>-fluorobiphenyls
Acta Crystallographica Section C, 2017, 73
2020837 CIF
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C32 H36 Co N8 O8P 1 2/n 113.264; 9.0189; 14.709
90; 107.04; 90
1682.3Huang, Qiu-Ying; Zhao, Yang; Meng, Xiang-Ru
Syntheses, structures and characterization of isomorphous Co^II^and Ni^II^ coordination polymers based on 2-[(1<i>H</i>-imidazol-1-yl)methyl]-6-methyl-1<i>H</i>-benzimidazole and benzene-1,4-dicarboxylate
Acta Crystallographica Section C, 2017, 73, 645-651
2020838 CIF
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C32 H36 N8 Ni O8P 1 2/n 113.192; 9.018; 14.67
90; 106.84; 90
1670.4Huang, Qiu-Ying; Zhao, Yang; Meng, Xiang-Ru
Syntheses, structures and characterization of isomorphous Co^II^and Ni^II^ coordination polymers based on 2-[(1<i>H</i>-imidazol-1-yl)methyl]-6-methyl-1<i>H</i>-benzimidazole and benzene-1,4-dicarboxylate
Acta Crystallographica Section C, 2017, 73, 645-651
2020840 CIF
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C22 H28 O7P 1 21/c 14.9801; 17.4771; 23.1
90; 94.124; 90
2005.37Wiedemann, Dennis; Kohl, Julia
Invariom-model refinement and Hirshfeld surface analysis of well-ordered solvent-free dibenzo-21-crown-7
Acta Crystallographica Section C Structural Chemistry, 2017, 73
2020841 CIF
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C22 H28 O7P 1 21/c 14.9801; 17.4771; 23.1
90; 94.124; 90
2005.37Wiedemann, Dennis; Kohl, Julia
Invariom-model refinement and Hirshfeld surface analysis of well-ordered solvent-free dibenzo-21-crown-7
Acta Crystallographica Section C Structural Chemistry, 2017, 73
2020842 CIF
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C6 F3 I3P 1 21/c 19.3455; 13.1854; 9.2185
90; 118.466; 90
998.61Raffo, Pablo A.; Suárez, Sebastián; Fantoni, Adolfo C.; Baggio, Ricardo; Cukiernik, Fabio D.
Polymorphism of a widely used building block for halogen-bonded assemblies: 1,3,5-trifluoro-2,4,6-triiodobenzene
Acta Crystallographica Section C, 2017, 73
2020843 CIF
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C24 H28 N6 O4P c c n9.1077; 13.5893; 19.476
90; 90; 90
2410.5Martin, Kenneth L.; Breton, Gary W.
Computational, ^1^H NMR, and X-ray structural studies on 1-arylurazole tetrazane dimers
Acta Crystallographica Section C, 2017, 73
2020844 CIF
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C12 H11 Cl N3 O PP 3 c 115.8635; 15.8635; 8.9754
90; 90; 120
1956.06Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Farhadipour, Abolghasem; Ghorbanian, Nazila; Andreev, Pavel V.
A novel tubular hydrogen-bond pattern in a new diazaphosphole oxide: a combination of X-ray crystallography and theoretical study of hydrogen bonds
Acta Crystallographica Section C, 2017, 73, 508-516
2020845 CIF
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C28 H20 N18 ZnP -18.4211; 9.5379; 9.7491
83.531; 66.048; 85.922
710.78Setifi, Zouaoui; Zambon, Daniel; Setifi, Fatima; El-Ghozzi, Malika; Mahiou, Rachid; Glidewell, Christopher
Three zinc(II) and cadmium(II) complexes containing 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole and polynitrile ligands: synthesis, molecular and supramolecular structures, and photoluminescence properties
Acta Crystallographica Section C, 2017, 73
2020846 CIF
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C28 H20 Cd N18P -18.7209; 8.7949; 10.349
91.966; 94.945; 112.682
727.67Setifi, Zouaoui; Zambon, Daniel; Setifi, Fatima; El-Ghozzi, Malika; Mahiou, Rachid; Glidewell, Christopher
Three zinc(II) and cadmium(II) complexes containing 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole and polynitrile ligands: synthesis, molecular and supramolecular structures, and photoluminescence properties
Acta Crystallographica Section C, 2017, 73
2020847 CIF
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C32 H20 Cd N18P -19.271; 9.571; 10.156
87.833; 68.383; 88.803
837.2Setifi, Zouaoui; Zambon, Daniel; Setifi, Fatima; El-Ghozzi, Malika; Mahiou, Rachid; Glidewell, Christopher
Three zinc(II) and cadmium(II) complexes containing 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole and polynitrile ligands: synthesis, molecular and supramolecular structures, and photoluminescence properties
Acta Crystallographica Section C, 2017, 73
2020848 CIF
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C78 H91 Fe K N10 O8P 1 21/c 113.0866; 21.934; 24.898
90; 91.214; 90
7145.2Wu, Qi; Yao, Zhen; Li, Jianfeng
Synthesis and characterization of (cryptand-222)potassium (2-methylimidazolato)(<i>meso</i>-tetraphenylporphinato)ferrate(II)‒2-methylimidazole‒tetrahydrofuran (1/1/2)
Acta Crystallographica Section C, 2017, 73
2020849 CIF
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C20 H18 Cl2 N4 PtP 1 21/c 110.6134; 15.7166; 11.8754
90; 100.376; 90
1948.5DeStefano, Matthew R.; Geiger, David K.
A luminescent bis(pyridyl)-substituted benzimidazole platinum(II) complex exhibiting an intermolecular anagostic interaction
Acta Crystallographica Section C, 2017, 73
2020850 CIF
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C28 H30 Cl2 Cu N6 O13C 1 2/c 148.675; 8.375; 16.3155
90; 100.716; 90
6535.1Bhat, Satish S.; Revankar, Vidyanand K.; Shivalingegowda, Naveen; Lokanath, N. K.
A fluorophore-labelled copper complex: crystal structure, hybrid cyclic water‒perchlorate cluster and biological properties
Acta Crystallographica Section C, 2017, 73
2020851 CIF
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C50 H34 Cl2 N4 O14 Zn2P 1 21/n 110.6003; 14.0573; 15.8141
90; 104.016; 90
2286.33Sorenson, Shayne; Popova, Marina; Arif, Atta M.; Berreau, Lisa M.
A bipyridine-ligated zinc(II) complex with bridging flavonolate ligation: synthesis, characterization, and visible-light-induced CO release reactivity
Acta Crystallographica Section C, 2017, 73
2020852 CIF
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C20 H24 Br4 Cd Hg N2 O5P 1 21/c 17.3985; 16.498; 22.9089
90; 98.3739; 90
2766.5Truong, Khai-Nghi; Merkens, Carina; Englert, Ulli
3-(Pyridin-4-yl)acetylacetone: Cd^II^ and Hg^II^ compete for nitrogen coordination
Acta Crystallographica Section C, 2017, 73
2020853 CIF
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C21 H25 Cl O5 SP 21 21 215.3945; 9.1577; 43.475
90; 90; 90
2147.7Gelbrich, Thomas; Adamer, Verena; Stefinovic, Marijan; Thaler, Andrea; Griesser, Ulrich J.
Hydrogen-bonded structures and interaction energies in two forms of the SGLT-2 inhibitor sotagliflozin
Acta Crystallographica Section C, 2017, 73
2020854 CIF
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C21 H27 Cl O6 SP 21 21 214.4659; 9.8994; 48.073
90; 90; 90
2125.3Gelbrich, Thomas; Adamer, Verena; Stefinovic, Marijan; Thaler, Andrea; Griesser, Ulrich J.
Hydrogen-bonded structures and interaction energies in two forms of the SGLT-2 inhibitor sotagliflozin
Acta Crystallographica Section C, 2017, 73
2020855 CIF
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C25 H28 Fe N4 O5P 1 21/n 110.3583; 13.1393; 17.7722
90; 92.291; 90
2416.88Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc
Supramolecular architectures in the salt trimethoprimium ferrocene-1-carboxylate and the cocrystal 4-amino-5-chloro-2,6-dimethylpyrimidine‒ferrocene-1-carboxylic acid (1/1)
Acta Crystallographica Section C, 2017, 73
2020856 CIF
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C17 H18 Cl Fe N3 O2I 1 2/a 120.8783; 7.4013; 23.2605
90; 108.146; 90
3415.6Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc
Supramolecular architectures in the salt trimethoprimium ferrocene-1-carboxylate and the cocrystal 4-amino-5-chloro-2,6-dimethylpyrimidine‒ferrocene-1-carboxylic acid (1/1)
Acta Crystallographica Section C, 2017, 73
2020857 CIF
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C13 H11 Cd N3 O7C 1 2/c 116.56; 13.383; 13.302
90; 111.47; 90
2743.5Zhou, Qian-Kun; Li, Ni-Ya
A three-dimensional cadmium coordination polymer based on 1,4-bis(1,2,4-triazol-1-yl)but-2-ene and benzene-1,3,5-tricarboxylic acid
Acta Crystallographica Section C, 2017, 73
2020898 CIF
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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

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