Crystallography Open Database

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2015898 CIF
HKL
Paper
C29 H16 N4 Ni O5P b c n12.2618; 10.929; 17.171
90; 90; 90
2301.1Chen, Xia; Chen, Hong-Feng; Xue, Gang; Chen, Hong-Yu; Yu, Wen-Tao; Fang, Qi
(Croconato-κ^2^<i>O</i>,<i>O</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II), and the nickel(II) and copper(II) analogues
Acta Crystallographica Section C, 2007, 63, m166-m168
2015912 CIF
HKL
Paper
C26 H24.91 N10 O9.45P b c n7.01; 33.052; 24.2496
90; 90; 90
5618.5Sridhar, Balasubramanian; Ravikumar, Krishnan
Supramolecular hydrogen-bonding networks in bis(adeninium) phthalate phthalic acid 1.45-hydrate
Acta Crystallographica Section C, 2007, 63, o212-o214
2016155 CIF
HKL
Paper
C18 H18 Cl4 N2 O2P b c n10.36; 12.191; 15.332
90; 90; 90
1936.4Kubono, Koji; Yokoi, Kunihiko
Monoclinic and orthorhombic polymorphs of 4,4',6,6'-tetrachloro-2,2'-(piperazine-1,4-diyldimethylene)diphenol
Acta Crystallographica Section C, 2007, 63, o535-o537
2016208 CIF
HKL
Paper
C27 H26 Cu N2 O8 P2P b c n7.9585; 16.8134; 21.622
90; 90; 90
2893.23Platt, Andrew W. G.; Lees, Anthony M. J.
<i>catena</i>-Poly[[bis(nitrato-κ^2^<i>O</i>,<i>O</i>')copper(II)]-μ-propane-1,3-diylbis(diphenylphosphine oxide)-κ^2^<i>O</i>:<i>O</i>']
Acta Crystallographica Section C, 2007, 63, m433-m435
2016251 CIF
HKL
Paper
C8 H22 Cl2 N2 Si3P b c n6.8227; 13.4226; 17.5317
90; 90; 90
1605.52Böhme, Uwe; Bendrath, Franziska; Günther, Betty
2,2-Dichloro-1,3-bis(trimethylsilyl)-1,3-diaza-2-silacyclopentane
Acta Crystallographica Section C, 2007, 63, o631-o632
2016300 CIF
HKL
Paper
C38 H30 N4 O8 SrP b c n23.411; 10.409; 13.722
90; 90; 90
3343.8Duan-Jun Xu; Bing-Yu Zhang; Jian-Rong Su; Jing-Jing Nie
Intramolecular π‒π stacking in diaquabis(2-hydroxybenzoato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')strontium(II)
Acta Crystallographica Section C, 2007, 63, m622-m624
2016494 CIF
HKL
Paper
C22 H22 N2 O4 ZnP b c n15.5576; 10.1598; 12.5487
90; 90; 90
1983.5Brahma, Sanjaya; Sachin, H. P.; Shivashankar, S. A.; Narasimhamurthy, T.; Rathore, R. S.
Adducts of bis(acetylacetonato)zinc(II) with 1,10-phenanthroline and 2,2'-bipyridine
Acta Crystallographica Section C, 2008, 64, m140-m143
2016750 CIF
HKL
Paper
C10 H10 I NP b c n24.259; 11.469; 7.1937
90; 90; 90
2001.5Lemmerer, Andreas; Billing, David G.; Robinson, Janine M.
Hydrogen-bonding one-dimensional chains containing the <i>R</i>~4~^2^(8) motif in the ammonium salts 1-naphthylammonium iodide and naphthalene-1,8-diyldiammonium diiodide
Acta Crystallographica Section C, 2008, 64, o481-o484
2016830 CIF
HKL
Paper
C26 H27 Ag2 N4 O9 P SP b c n14.539; 17.472; 22.623
90; 90; 90
5747Du, Zi-Yi; Liu, Qing-Yan; Wen, He-Rui; Xie, Yong-Rong; Huang, Jian-Jun
Hydrogen-bonded layers directed by the [3-O~3~S‒C~6~H~4~‒PO~3~H]^2{-^} dianion: <i>catena</i>-poly[[silver(I)-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 3-[hydroxy(oxido)phosphinoyl]benzenesulfonate trihydrate] and <i>catena</i>-poly[[[tetraaquacobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 3-[hydroxy(oxido)phosphinoyl]benzenesulfonate]
Acta Crystallographica Section C, 2008, 64, m353-m357
2017126 CIF
HKL
Paper
C19 H22 F6 O14P b c n6.9425; 12.366; 29.22
90; 90; 90
2508.6Zhou, Yan; Zhao, Wen-Na; Han, Lei
A novel (3,4,10)-connected three-dimensional hydrogen-bonded supramolecular network containing a cyclic water hexamer
Acta Crystallographica Section C, 2009, 65, o287-o289
2017230 CIF
HKL
Paper
C10 H14 Cu N2 O8P b c n12.498; 20.899; 10.43
90; 90; 90
2724.3Perec, Mireille; Baggio, Ricardo
Diaqua(oxydiacetato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')(pyridine-3-carboxamide-κ<i>N</i>^1^)copper(II)
Acta Crystallographica Section C, 2009, 65, m296-m298
2017364 CIF
HKL
Paper
C6 H54 Ag2 N5 S2P b c n17.719; 8.159; 7.326
90; 90; 90
1059.1Luo, Geng-Geng; Sun, Di; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun
Two novel silver(I) coordination polymers: poly[(μ~2~-2-aminopyrimidine-κ^2^<i>N</i>^1^:<i>N</i>^3^)bis(μ~3~-thiocyanato-κ^3^<i>S</i>:<i>S</i>:<i>S</i>)disilver(I)] and poly[(2-amino-4,6-dimethylpyrimidine-κ<i>N</i>)(μ~3~-thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>)silver(I)]
Acta Crystallographica Section C, 2009, 65, m377-m381
2017394 CIF
HKL
Paper
C12 H24 I3 O3 YbP b c n9.3507; 14.6003; 14.3335
90; 90; 90
1956.9Emge, Thomas J.; Kornienko, A.; Brennan, John G.
<i>Trans</i> influence in a <i>mer</i>-octahedral triiodidolanthanide: triiodidotris(tetrahydrofuran-κ<i>O</i>)ytterbium(III)
Acta Crystallographica Section C, 2009, 65, m422-m425
2017474 CIF
HKL
Paper
C11 H12 N3 O1.5P b c n10.8346; 7.4952; 24.621
90; 90; 90
1999.4Quiroga, Jairo; Trilleras, Jorge; Cobo, Justo; Glidewell, Christopher
5-Amino-3-methyl-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde hemihydrate: a polarized electronic structure within hydrogen-bonded sheets of <i>R</i>~10~^8^(34) rings
Acta Crystallographica Section C, 2010, 66, o47-o49
2017512 CIF
HKL
Paper
C13 H9 N O SP b c n11.9297; 10.8294; 16.6986
90; 90; 90
2157.32Spencer, John; Chowdhry, Babur Z.; Hamid, Samiyah; Mendham, Andrew P.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.
Seven 3-methylidene-1<i>H</i>-indol-2(3<i>H</i>)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib
Acta Crystallographica Section C, 2010, 66, o71-o78
2017513 CIF
HKL
Paper
C13 H11 N O3P b c n19.225; 5.0503; 22.1886
90; 90; 90
2154.3Spencer, John; Chowdhry, Babur Z.; Hamid, Samiyah; Mendham, Andrew P.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.
Seven 3-methylidene-1<i>H</i>-indol-2(3<i>H</i>)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib
Acta Crystallographica Section C, 2010, 66, o71-o78
2017705 CIF
HKL
Paper
C18 H12 Br3 Cl6 N SbP b c n17.4052; 16.4768; 16.7408
90; 90; 90
4801Quiroz-Guzman, Mauricio; Brown, Seth N.
Tris(4-bromophenyl)aminium hexachloridoantimonate (`Magic Blue'): a strong oxidant with low inner-sphere reorganization
Acta Crystallographica Section C, 2010, 66, m171-m173
2017718 CIF
HKL
Paper
K12 Nb6 Se35.3P b c n8.329; 13.2559; 55.974
90; 90; 90
6180Krizan, Jason W.; Pulido, Sergio H.; Wehrhan, Sarah E.; Chan, Benny C.
Cs~6~Nb~4~Se~22~ and K~12~Nb~6~Se~35.3~: two new compounds containing the <i>M</i>~4~<i>Q</i>~22~ building block
Acta Crystallographica Section C, 2010, 66, i75-i78
2017748 CIF
HKL
Paper
C64 H112 Mn2 N4 Na2 O4 Si4P b c n25.209; 17.6946; 15.5541
90; 90; 90
6938.1Blake, Alexander J.; Harris, Naomi A.; Kays, Deborah L.; Lewis, William; Moxey, Graeme J.
Bis[μ~3~-1,8-bis(triisopropylsilylamido)naphthalene]bis(tetrahydrofuran)di-μ~3~-oxido-dimanganese(III)disodium
Acta Crystallographica Section C, 2010, 66, m204-m206
2017756 CIF
HKL
Paper
C32 H62 Cl4 N2 O7 ZnP b c n26.9702; 11.4912; 24.9646
90; 90; 90
7737Zhao, Min Min; Qu, Zhi Rong
Bis(adamantan-1-aminium) tetrachloridozincate(II) 18-crown-6 monohydrate clathrate
Acta Crystallographica Section C, 2010, 66, m215-m217
2017894 CIF
HKL
Paper
C16 H18 O6P b c n12.4911; 8.51; 13.2883
90; 90; 90
1412.54Langer, Vratislav; Lundquist, Knut
5,5'-Bis(hydroxymethyl)-3,3'-dimethoxybiphenyl-2,2'-diol with a new three-dimensional 3-modal topology of synthons
Acta Crystallographica Section C, 2010, 66, o606-o608
2018027 CIF
HKL
Paper
C18 H20 O10P b c n14.2694; 16.5639; 7.2237
90; 90; 90
1707.37Thébault, Frédéric; Öhrström, Lars; Haukka, Matti
2,3,6,7,10,11-Hexahydroxytriphenylene tetrahydrate: a new form of an important starting material for supramolecular chemistry and covalent organic frameworks
Acta Crystallographica Section C, 2011, 67, o143-o145
2018233 CIF
HKL
Paper
C14 H18 Cl2 N2 S2P b c n13.6599; 8.5928; 14.8979
90; 90; 90
1748.7Lennartson, Anders; McKenzie, Christine J.
1,2-Bis[(pyridin-2-ylmethyl)sulfanyl]ethane and its dimorphic hydrochloride salt
Acta Crystallographica Section C, 2011, 67, o354-o358
2018264 CIF
HKL
Paper
C14 H20 N O4.5P b c n16.9402; 14.1463; 11.6407
90; 90; 90
2789.59Jagan, R.; Sivakumar, K.
Self-assembled supramolecular sheet- and channel-type frameworks in the <i>p</i>-phenetidinium hydrogen phthalate and cyclohexylaminium hydrogen phthalate hemihydrate salts
Acta Crystallographica Section C, 2011, 67, o373-o377
2018339 CIF
HKL
Paper
Cl2 H8 Mg O4P b c n7.2557; 8.4285; 11.0412
90; 90; 90
675.22Schmidt, Horst; Hennings, Erik; Voigt, Wolfgang
Magnesium chloride tetrahydrate, MgCl~2~·4H~2~O
Acta Crystallographica Section C, 2012, 68, i4-i6
2018361 CIF
HKL
Paper
C20 H13 Cl2 N3 OP b c n20.868; 9.603; 16.924
90; 90; 90
3391Quiroga, Jairo; Díaz, Yurina; Cobo, Justo; Glidewell, Christopher
Hydrogen-bonded assembly in six closely related pyrazolo[3,4-<i>b</i>]pyridine derivatives; a simple chain, three types of chains of rings and a complex sheet structure
Acta Crystallographica Section C, 2012, 68, o12-o18
2018488 CIF
HKL
Paper
C14 H14 Cl2 Mn N2 O10P b c n17.195; 12.411; 17.569
90; 90; 90
3749Jin, Shuang; Wen, Mei-Feng; Liu, Lu-Fang; Gao, Ming-Juan; Wu, Jian-Zhong
Synthesis and supramolecular networks of 5,6-dioxo-1,10-phenanthroline-2,9-dicarboxylic acid dihydrate and its first coordination compound <i>cis</i>-diaquachlorido(5,6-dioxo-1,10-phenanthroline-2,9-dicarboxylic acid-κ^4^<i>O</i>^2^,<i>N</i>,<i>N</i>',<i>O</i>^9^)manganese(II) chloride dihydrate
Acta Crystallographica Section C, 2012, 68, m135-m138
2018569 CIF
HKL
Paper
C22 H18 Ba O6P b c n20.464; 11.9699; 8.2812
90; 90; 90
2028.5Arlin, Jean-Baptiste; Kennedy, Alan R.
Alkaline earth metal salts of 1-naphthoic acid
Acta Crystallographica Section C, 2012, 68, m213-m218
2018855 CIFAg N O5 TeP b c n5.667; 14.202; 5.232
90; 90; 90
421.086Kazikowski, S.; Olsson, C.; Johansson, L.G.
Structure of silver telluryl nitrate Ag Te O2 N O3.
Acta Crystallographica C (39,1983-), 1988, 44, 427-429
2018964 CIF
HKL
Paper
C12 H17 N6 Ni O0.5P b c n20.412; 7.173; 17.8858
90; 90; 90
2618.75Stolárová, Monika; Černák, Juraj; Tomás, Milagros; Falvello, Larry R.
Crystal structure and thermal properties of a square-planar Ni^II^ complex of cyanide and a tricyclic bis-amidine ligand formed <i>in situ</i> under solvothermal conditions
Acta Crystallographica Section C, 2013, 69, 565-568
2018979 CIF
HKL
Paper
C38 H40 N4 O4 Pd2P b c n16.282; 17.74; 11.608
90; 90; 90
3352.9Komiya, Naruyoshi; Kageyama, Takeharu; Naito, Masaya; Naota, Takeshi
A clothes-peg-shaped binuclear <i>trans</i>-bis(2-aminotroponato)palladium(II) complex bearing pentamethylene spacers
Acta Crystallographica Section C, 2013, 69, 503-505
2019279 CIF
Paper
C14 H9 N O SP b c n7.9006; 16.302; 16.998
90; 90; 90
2189.3Umezono, Satoru; Ikeda, Satoshi; Okuno, Tsunehisa
Transannular S···N interactions in 10-ethynyl-10<i>H</i>-phenothiazine 5-oxide and 5,5-dioxide
Acta Crystallographica Section C, 2013, 69, 1553-1556
2019437 CIF
Paper
C4 N4 S3P b c n3.897; 16.881; 10.91
90; 90; 90
717.7Jones, Ray
Three trithiadiazepines and a trithiatriazepine
Acta Crystallographica Section C, 2014, 70, 60-66
2019622 CIF
HKL
Paper
C30.5 H25 Cl3 Co N4P b c n13.798; 20.8958; 19.2954
90; 90; 90
5563.3Nyamato, George S.; Ojwach, Stephen O.; Akerman, Matthew P.
Packing forces in dichloridobis(3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)cobalt(II) dichloromethane hemisolvate
Acta Crystallographica Section C, 2014, 70
2019629 CIF
HKL
Paper
C21 H24 Br N O3P b c n18.0371; 15.4309; 14.2604
90; 90; 90
3969.08Steiger, Scott A.; Monacelli, Anthony J.; Li, Chun; Hunting, Janet L.; Natale, Nicholas R.
The effect of bromine scanning around the phenyl group of 4-phenylquinolone derivatives
Acta Crystallographica Section C, 2014, 70
2019630 CIF
HKL
Paper
C21 H24 Br N O3P b c n17.0813; 15.4877; 14.2544
90; 90; 90
3771Steiger, Scott A.; Monacelli, Anthony J.; Li, Chun; Hunting, Janet L.; Natale, Nicholas R.
The effect of bromine scanning around the phenyl group of 4-phenylquinolone derivatives
Acta Crystallographica Section C, 2014, 70
2019721 CIF
HKL
Paper
C40 H32 O6P b c n10.2772; 19.336; 15.9587
90; 90; 90
3171.31Yoshiwaka, Sayaka; Sasagawa, Kosuke; Noguchi, Keiichi; Yonezawa, Noriyuki; Okamoto, Akiko
Comparative structural analysis of 2,7-diethoxy-1,8-bis(4-phenoxybenzoyl)naphthalene and its homologues: orientation of the 4-phenoxybenzoyl groups at the 1- and 8-positions of the naphthalene ring
Acta Crystallographica Section C, 2014, 70
2019727 CIF
HKL
Paper
C19 H15 N5 O6 ZnP b c n6.7644; 18.5124; 15.3595
90; 90; 90
1923.4Coropceanu, Eduard B.; Dreab, Ana; Croitor, Lilia
Two Zn^II^ mononuclear coordination compounds with pyridinedicarboxylate and auxiliary <i>N</i>-(pyridin-4-ylmethylidene)hydroxylamine ligands
Acta Crystallographica Section C, 2014, 70
2019744 CIF
HKL
Paper
C19 H17 F N4 OP b c n19.392; 7.5431; 22.754
90; 90; 90
3328.4Bustos, Carlos; Alvarez-Thon, Luis; Oportus, Tania; Mesías-Salazar, Angela; Baggio, Ricardo
On substituted pyrazole derivatives. II. (<i>E</i>)-1-(4-{[1-(4-Fluorophenyl)-3,5-dimethyl-1<i>H</i>-pyrazol-4-yl]diazenyl}phenyl)ethanone and (<i>E</i>)-1-(4-chlorophenyl)-3,5-dimethyl-4-[2-(2-nitrophenyl)diazenyl]-1<i>H</i>-pyrazole
Acta Crystallographica Section C, 2015, 71
2019824 CIF
HKL
Paper
C5 H8 N4 O5 SP b c n28.0866; 9.0052; 7.4023
90; 90; 90
1872.23Rajkumar, M. Ambrose; NizamMohideen, M.; Xavier, S. Stanly John; Anbarasu, S.; Devarajan, Dr. Prem Anand
Crystal structure of 2-amino-5-nitropyridinium sulfamate
Acta Crystallographica Section E Crystallographic Communications, 2015, 71, 231
2019949 CIF
HKL
Paper
C17 H18 N3 O5 ReP b c n28.4; 9.038; 14.39
90; 90; 90
3693.6Marake, Daniel T.; Mokolokolo, Penny P.; Visser, Hendrik G.; Brink, Alice
Structural comparison of group 7 tricarbonyl complexes of 2-{[2-(1H-imidazol-4-yl)ethyl]iminomethyl}-5-methylphenolate
Acta Crystallographica Section C Structural Chemistry, 2015, 71
2020217 CIFLi2 Mg2 O12 S3P b c n12.165; 8.538; 8.689
90; 90; 90
902.481Touboul, M.; Quarton, M.; Lokaj, J.; Kettmann, V.
Structure of dilithium dimagnesium trisulfate
Acta Crystallographica C (39,1983-), 1988, 44, 1887-1889
2020520 CIFO4 Sr TeP b c n5.605; 13.181; 5.003
90; 90; 90
369.6Lapasset, J.; Moret, J.
Structure de SrTeO~4~ sur monocristal. Organisation de structures comportant des empilements de chaînes (TeO~4~)~n~. Dimorphisme de Na~2~TeO~4~
Acta Crystallographica, Section C: Crystal Structure Communications, 1985, 41, 1558-1562
2020568 CIF
HKL
Paper
C16 H11 N3P b c n25.145; 16.9623; 16.8138
90; 90; 90
7171.4Kumara, Tholappanavara H. Suresha; Nagendrappa, Gopalpur; Chandrika, Nanjappa; Sowmya, Haliwana B. V.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher
Reactions between arylhydrazinium chlorides and 2-chloroquinoline-3-carbaldehydes: molecular and supramolecular structures of a hydrazone, a 4,9-dihydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline and two 1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinolines
Acta Crystallographica Section C, 2016, 72
2020594 CIF
HKL
Paper
C4 H6 O3P b c n8.0707; 7.8733; 7.9305
90; 90; 90
503.93Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W.
Acetic anhydride at 100K: the first crystal structure determination
Acta Crystallographica Section C, 2016, 72, 753-757
2020648 CIF
HKL
C20 H18 Br2 N10 ZnP b c n11.498; 11.715; 17.071
90; 90; 90
2299.4Liu, Chun-Li; Wei, Xu; Huang, Qiu-Ying; Meng, Xiang-Ru
Syntheses, structures and properties of two new isostructural zinc(II) complexes based on 1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-imidazole
Acta Crystallographica Section C, 2016, 72, 917-922
2020649 CIF
HKL
C20 H18 I2 N10 ZnP b c n11.729; 11.853; 17.563
90; 90; 90
2441.7Liu, Chun-Li; Wei, Xu; Huang, Qiu-Ying; Meng, Xiang-Ru
Syntheses, structures and properties of two new isostructural zinc(II) complexes based on 1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-imidazole
Acta Crystallographica Section C, 2016, 72, 917-922
2020680 CIF
HKL
C24 H26 N12 O5 ZnP b c n13.861; 10.521; 18.634
90; 90; 90
2717.4Liu, Chun-Li; Huang, Qiu-Ying; Meng, Xiang-Ru
A one-dimensional zinc(II) coordination polymer with a three-dimensional supramolecular architecture incorporating 1-[(1<i>H</i>-benzimidazol-2-yl)methyl]-1<i>H</i>-tetrazole and adipate
Acta Crystallographica Section C, 2016, 72, 1002-1006
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
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

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