Crystallography Open Database

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2018539 CIF
HKL
Paper
C45 H28 N4 Ni OI -4 2 d15.6514; 15.6514; 13.06
90; 90; 90
3199.26Spencer, Lara C.; Yao, Shu A.; Berry, John F.; Guzei, Ilia A.
An example of the refinement of positional disorder modeled as compositional disorder in [5-(2-formylphenyl)-10,15,20-triphenylporphyrinato]nickel(II)
Acta Crystallographica Section C, 2012, 68, m197-m199
2018540 CIF
HKL
Paper
C12 H19 B Cl F4 N3 PtP 1 21/n 111.0907; 11.1644; 13.48
90; 101.664; 90
1634.6Salmond, Rosanne C.; Munro, Orde Q.
π‒π Dimerization of a mono(pyridyl‒imine) platinum(II) chelate
Acta Crystallographica Section C, 2012, 68, m189-m193
2018541 CIF
HKL
Paper
Fe3.74 Li3.88 O16 P4P n m a10.306; 6.0041; 4.69281
90; 90; 90
290.383Dal Bo, Fabrice; Hatert, Frédéric
Li~0.97~Fe^II^~0.79~Fe^III^~0.15~(PO~4~), a new oxidized triphylite-type phosphate
Acta Crystallographica Section C, 2012, 68, i53-i54
2018542 CIF
HKL
Paper
C35 H26 Cl4 N2 O2 SP 1 21/n 113.4722; 16.4269; 14.8673
90; 108.243; 90
3124.9Suresh, J.; Vishnupriya, R.; Sivakumar, S.; Kumar, R. Ranjith; Athimoolam, S.
Intermolecular C—H···O and C—H···<i>X</i> interactions in substituted spiroacenaphthylene structures
Acta Crystallographica Section C, 2012, 68, o257-o261
2018543 CIF
HKL
Paper
C35 H28 F2 N2 O2 SP 1 21/n 114.8802; 9.6789; 20.2209
90; 104.155; 90
2823.87Suresh, J.; Vishnupriya, R.; Sivakumar, S.; Kumar, R. Ranjith; Athimoolam, S.
Intermolecular C—H···O and C—H···<i>X</i> interactions in substituted spiroacenaphthylene structures
Acta Crystallographica Section C, 2012, 68, o257-o261
2018544 CIF
HKL
Paper
C35 H28 Br2 N2 O2 SP 1 21/c 114.2275; 15.6753; 15.378
90; 116.761; 90
3062.3Suresh, J.; Vishnupriya, R.; Sivakumar, S.; Kumar, R. Ranjith; Athimoolam, S.
Intermolecular C—H···O and C—H···<i>X</i> interactions in substituted spiroacenaphthylene structures
Acta Crystallographica Section C, 2012, 68, o257-o261
2018545 CIF
HKL
Paper
C18 H34 Cl N O14P n a 2114.668; 10.242; 17.191
90; 90; 90
2582.6Shi, Ping-ping; Zhang, Li; Ye, Qiong
4-Carboxypyridinium perchlorate 18-crown-6 dihydrate clathrate and 4-carboxypyridinium tetrafluoroborate 18-crown-6 dihydrate clathrate
Acta Crystallographica Section C, 2012, 68, o266-o269
2018546 CIF
HKL
Paper
C18 H34 B F4 N O10P n a 2114.634; 10.177; 17.116
90; 90; 90
2549.1Shi, Ping-ping; Zhang, Li; Ye, Qiong
4-Carboxypyridinium perchlorate 18-crown-6 dihydrate clathrate and 4-carboxypyridinium tetrafluoroborate 18-crown-6 dihydrate clathrate
Acta Crystallographica Section C, 2012, 68, o266-o269
2018547 CIF
HKL
Paper
C5 H36 Mo5 N15 O25.5 P2P 1 21/c 123.0859; 19.2656; 15.7659
90; 92.873; 90
7003.3Di Tondo, Pietro; Pritchard, Robin Gavin
Pentaguanidinium monohydrogendiphosphopentamolybdate(VI) 2.5-hydrate, (CH~6~N~3~)~5~[HP~2~Mo~5~O~23~]·2.5H~2~O: hydrogen bonding and π-stacking in guanidinium cations
Acta Crystallographica Section C, 2012, 68, i50-i52
2018548 CIF
HKL
Paper
C5 H5 Cd N2 O5P 1 21/c 110.0259; 6.9271; 13.9278
90; 127.63; 90
766.07Yin, Xia; Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang
A new two-dimensional cadmium coordination polymer with 1<i>H</i>-imidazole-4-carboxylate and oxalate
Acta Crystallographica Section C, 2012, 68, m177-m180
2018549 CIF
HKL
Paper
C32 H30.65 N2 O3.33P 21 21 214.2076; 15.9721; 11.392
90; 90; 90
2585.13Gherase, Dragos; Naubron, Jean-Valère; Roussel, Christian; Giorgi, Michel
XRD and VCD: a marriage of love or convenience? Honeymoon around a cyclic urea derivative
Acta Crystallographica Section C, 2012, 68, o247-o252
2018550 CIF
HKL
Paper
C32 H30.8 N2 O3.4P 21 21 214.2212; 15.9917; 11.392
90; 90; 90
2590.78Gherase, Dragos; Naubron, Jean-Valère; Roussel, Christian; Giorgi, Michel
XRD and VCD: a marriage of love or convenience? Honeymoon around a cyclic urea derivative
Acta Crystallographica Section C, 2012, 68, o247-o252
2018551 CIF
HKL
Paper
C54 H64 Cu2 I2 N8P -110.119; 12.37; 12.962
103.19; 111.06; 109.3
1313.5Wan, Li-Min; Yang, Zhou; Zheng, Ai-Xia; Ren, Zhi-Gang; Lang, Jian-Ping
Two [Cu~2~I~2~]-based coordination polymers of 1,3-bis(pyridin-4-yl)propane
Acta Crystallographica Section C, 2012, 68, m181-m184
2018552 CIF
HKL
Paper
C32 H32 Cu2 I4 N4C 1 2/c 117.7; 14.604; 13.757
90; 109.53; 90
3351.5Wan, Li-Min; Yang, Zhou; Zheng, Ai-Xia; Ren, Zhi-Gang; Lang, Jian-Ping
Two [Cu~2~I~2~]-based coordination polymers of 1,3-bis(pyridin-4-yl)propane
Acta Crystallographica Section C, 2012, 68, m181-m184
2018553 CIF
HKL
Paper
C12 H11 Cu N2 O10 P2 VP -17.235; 10.705; 11.624
75.25; 82.58; 84.91
861.9Venegas-Yazigi, Diego; Vega, Andres; Valdes de la Barra, Karen; Saldias, Marianela; Le Fur, Eric
A new hybrid organic‒inorganic chain: [(phen)Cu‒μ-(κ^2^<i>O</i>:<i>O</i>'-VP~2~O~10~H~3~)~2~‒Cu(phen)]~<i>n~</i>
Acta Crystallographica Section C, 2012, 68, m200-m202
2018554 CIF
HKL
Paper
C10 H19 Cu N5 O5P c a 219.8; 19.039; 6.8975
90; 90; 90
1287He, Jiao-Jiao; Chai, Wen-Xiang; Song, Li; Niu, Feng; Fang, Xiao-Bin
A new potential NLO compound with a supramolecular layered structure: aqua(hexamethylenetetramine-κ<i>N</i>)(iminodiacetato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')copper(II)
Acta Crystallographica Section C, 2012, 68, m206-m208
2018555 CIF
HKL
Paper
C24 H22 Co N4 O8P 1 21/c 111.1247; 13.8704; 16.0515
90; 98.621; 90
2448.8Deng, Yi-Fang; Xu, Jin-Sheng; Chen, Man-Sheng; Zhang, Chun-Hua
Poly[[(μ~2~-4,4'-bipyridine)(μ~3~-5-isonicotinamidoisophthalato)cobalt(II)] trihydrate]
Acta Crystallographica Section C, 2012, 68, m219-m222
2018556 CIF
HKL
Paper
C15 H20 Br N O3P 1 21/c 111.9376; 7.3761; 18.1618
90; 102.979; 90
1558.34Huang, Yu; Zhong, Jia-Liang; Hanbin, Shan; Li, Min; Yuan, Zhe-Dong
(1-{[2-(6-Methoxynaphthalen-1-yl)ethyl]amino}ethylidene)oxidanium bromide monohydrate
Acta Crystallographica Section C, 2012, 68, o308-o310
2018557 CIF
HKL
Paper
C22 H28 O8P 6118.2223; 18.2223; 11.2387
90; 90; 120
3231.9Coy-Barrera, Ericsson D.; Cuca-Suárez, Luis E.; Sefkow, Michael; Schilde, Uwe
Cinerin C: a macrophyllin-type bicyclo[3.2.1]octane neolignan from <i>Pleurothyrium cinereum</i> (Lauraceae)
Acta Crystallographica Section C, 2012, 68, o320-o322
2018558 CIF
HKL
Paper
C9 H5 N5 O6P 1 21/n 16.6313; 18.5174; 8.3354
90; 91.352; 90
1023.26Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Hariharakrishnan, Venkatasubramanian; Singh, Awadesh Narain
Structures of benzoxazine-fused triazoles as potential diuretic agents
Acta Crystallographica Section C, 2012, 68, o302-o307
2018559 CIF
HKL
Paper
C14 H11 N5 O8P n a 217.2636; 17.673; 12.0447
90; 90; 90
1546.2Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Hariharakrishnan, Venkatasubramanian; Singh, Awadesh Narain
Structures of benzoxazine-fused triazoles as potential diuretic agents
Acta Crystallographica Section C, 2012, 68, o302-o307
2018560 CIF
HKL
Paper
C17 H19 N O2 SC 1 c 113.316; 14.195; 9.02
90; 115.775; 90
1535.3Frøstrup, Brian; Peters, Dan; Bond, Andrew D.
Enantiomerically pure (1<i>S</i>,5<i>R</i>) and racemic 3-(1-benzothiophen-2-yl)-8-azoniabicyclo[3.2.1]oct-2-ene acetate
Acta Crystallographica Section C, 2012, 68, o298-o301
2018561 CIF
HKL
Paper
C17 H19 N O2 SP 19.0244; 9.7278; 9.7492
92.9699; 107.457; 107.551
768.85Frøstrup, Brian; Peters, Dan; Bond, Andrew D.
Enantiomerically pure (1<i>S</i>,5<i>R</i>) and racemic 3-(1-benzothiophen-2-yl)-8-azoniabicyclo[3.2.1]oct-2-ene acetate
Acta Crystallographica Section C, 2012, 68, o298-o301
2018562 CIF
HKL
Paper
C15 H15 Br N2 O2 PtP 1 21/c 17.5; 12.144; 16.844
90; 100.625; 90
1507.8Tenne, Mario; Unger, Yvonne; Strassner, Thomas
(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')[1-(4-bromophenyl-κ<i>C</i>^2^)-3-methylimidazol-2-ylidene-κ<i>C</i>^2^]platinum(II)
Acta Crystallographica Section C, 2012, 68, m203-m205
2018563 CIF
HKL
Paper
C28 H36 Cl2 Co2 N8 O12P 1 21/n 110.6198; 10.244; 16.503
90; 92.167; 90
1794.1Maass, John S.; Luck, Rudy L.; Zeller, Matthias
The first dinuclear cobalt complex bridged by acetylamidate ligands: di-μ-acetylamido-κ^2^<i>O</i>:<i>N</i>;κ^2^<i>N</i>:<i>O</i>-di-μ-hydroxido-κ^4^<i>O</i>:<i>O</i>-bis[bis(pyridine-κ<i>N</i>)cobalt(III)] bis(perchlorate) acetonitrile disolvate
Acta Crystallographica Section C, 2012, 68, m233-m234
2018564 CIF
Paper
Ge11.58 La4 Li2C m m m4.1871; 21.1132; 4.3912
90; 90; 90
388.196Stetskiv, Andrij; Misztal, Renata; Pavlyuk, Volodymyr
Crystal and electronic structures of La~2~LiGe~6{-~<i>x</i>} (<i>x</i> = 0.21) and La~2~LiGe~4~Si~2~
Acta Crystallographica Section C, 2012, 68, i60-i64
2018565 CIF
Paper
Ge4 La2 Li Si2C m m m4.1462; 21.0674; 4.3704
90; 90; 90
381.753Stetskiv, Andrij; Misztal, Renata; Pavlyuk, Volodymyr
Crystal and electronic structures of La~2~LiGe~6{-~<i>x</i>} (<i>x</i> = 0.21) and La~2~LiGe~4~Si~2~
Acta Crystallographica Section C, 2012, 68, i60-i64
2018566 CIF
HKL
Paper
C22 H24 Mg O9P 1 21/c 112.8896; 8.0048; 24.53
90; 121.19; 90
2165.13Arlin, Jean-Baptiste; Kennedy, Alan R.
Alkaline earth metal salts of 1-naphthoic acid
Acta Crystallographica Section C, 2012, 68, m213-m218
2018567 CIF
HKL
Paper
C22 H18 Ca O6C 1 2/c 121.079; 11.441; 7.72
90; 93.994; 90
1857.27Arlin, Jean-Baptiste; Kennedy, Alan R.
Alkaline earth metal salts of 1-naphthoic acid
Acta Crystallographica Section C, 2012, 68, m213-m218
2018568 CIF
HKL
Paper
C22 H18 O6 SrC 1 2/c 121.274; 11.3397; 7.9619
90; 94.52; 90
1914.8Arlin, Jean-Baptiste; Kennedy, Alan R.
Alkaline earth metal salts of 1-naphthoic acid
Acta Crystallographica Section C, 2012, 68, m213-m218
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
2018570 CIF
HKL
Paper
C91.5 H96 Al N3 O3P -113.0728; 15.9452; 19.4565
75.217; 75.262; 74.2
3697.98Broomfield, Lewis M.; Bochmann, Manfred; Wright, Joseph A.
Tris[3,6-di-<i>tert</i>-butyl-1-(isoquinolin-1-yl)naphthalen-2-olato-κ^2^<i>N</i>,<i>O</i>]aluminium(III) toluene sesquisolvate
Acta Crystallographica Section C, 2012, 68, m226-m228
2018571 CIF
Paper
C11 H8 F N O3P b c a14.1516; 7.0064; 18.3134
90; 90; 90
1815.81Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R. V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim
Supramolecular networks in (9-fluoro-4<i>H</i>-chromeno[4,3-<i>c</i>]isoxazol-3-yl)methanol and its 9-chloro analogue at 100K
Acta Crystallographica Section C, 2012, 68, o288-o293
2018572 CIF
Paper
C11 H8 Cl N O3P -19.4306; 14.8892; 21.4949
98.764; 97.61; 94.013
2944.13Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R. V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim
Supramolecular networks in (9-fluoro-4<i>H</i>-chromeno[4,3-<i>c</i>]isoxazol-3-yl)methanol and its 9-chloro analogue at 100K
Acta Crystallographica Section C, 2012, 68, o288-o293
2018573 CIF
HKL
Paper
C4 H9 N O2P b c a11.2228; 10.0097; 18.7285
90; 90; 90
2103.9Minkov, Vasily S.; Boldyreva, Elena V.
The effect of partial methylation of the glycine amino group on crystal structure in <i>N</i>,<i>N</i>-dimethylglycine and its hemihydrate
Acta Crystallographica Section C, 2012, 68, o283-o287
2018574 CIF
HKL
Paper
C4 H10 N O2.5C 1 2/c 120.0403; 10.7329; 11.112
90; 103.78; 90
2321.29Minkov, Vasily S.; Boldyreva, Elena V.
The effect of partial methylation of the glycine amino group on crystal structure in <i>N</i>,<i>N</i>-dimethylglycine and its hemihydrate
Acta Crystallographica Section C, 2012, 68, o283-o287
2018575 CIF
HKL
Paper
C15 H15 N3 O3C 1 2/c 131.688; 6.7674; 13.146
90; 106.545; 90
2702.4Valkonen, Arto; Kolehmainen, Erkki; Grzegórska, Aleksandra; Ośmiałowski, Borys; Gawinecki, Ryszard; Rissanen, Kari
Two (<i>E</i>)-2-({[4-(dialkylamino)phenyl]imino}methyl)-4-nitrophenols
Acta Crystallographica Section C, 2012, 68, o279-o282
2018576 CIF
HKL
Paper
C17 H19 N3 O3P 1 21/c 16.5848; 22.2544; 10.8735
90; 106.811; 90
1525.32Valkonen, Arto; Kolehmainen, Erkki; Grzegórska, Aleksandra; Ośmiałowski, Borys; Gawinecki, Ryszard; Rissanen, Kari
Two (<i>E</i>)-2-({[4-(dialkylamino)phenyl]imino}methyl)-4-nitrophenols
Acta Crystallographica Section C, 2012, 68, o279-o282
2018577 CIF
HKL
Paper
B Co H4.96 K O10.48 P2P 65 2 29.5231; 9.5231; 15.633
90; 90; 120
1227.8Guesmi, Abderrahmen; Driss, Ahmed
KCo(H~2~O)~2~BP~2~O~8~·0.48H~2~O and K~0.17~Ca~0.42~Co(H~2~O)~2~BP~2~O~8~·H~2~O: two cobalt borophosphates with helical ribbons and disordered (K,Ca)/H~2~O schemes
Acta Crystallographica Section C, 2012, 68, i55-i59
2018578 CIF
HKL
Paper
B Ca0.42 Co H6 K0.17 O11 P2P 65 2 29.472; 9.472; 15.872
90; 90; 120
1233.2Guesmi, Abderrahmen; Driss, Ahmed
KCo(H~2~O)~2~BP~2~O~8~·0.48H~2~O and K~0.17~Ca~0.42~Co(H~2~O)~2~BP~2~O~8~·H~2~O: two cobalt borophosphates with helical ribbons and disordered (K,Ca)/H~2~O schemes
Acta Crystallographica Section C, 2012, 68, i55-i59
2018579 CIF
HKL
Paper
C28 H34 Cu2 N4 Na2 O20 S2P -17.156; 9.8692; 12.9585
95.853; 90.544; 95.643
905.82Fu, Jiang-Hong; Wang, Yu-Ling; Chen, Ying; Hu, Chang-Hui; Tang, Li
A one-dimensional heterometallic coordination polymer with a three-dimensional supramolecular framework: poly[μ~2~-aqua-diaqua(2,2'-bipyridyl)(μ~5~-2-sulfonatobutanedioato)copper(II)sodium(I)]
Acta Crystallographica Section C, 2012, 68, m209-m212
2018580 CIF
HKL
Paper
C16 H12 O5P 1 21/c 16.1986; 24.547; 8.1004
90; 95.37; 90
1227.12Hopf, Henning; Jones, Peter G.; Goclik, Eva; Aust, Pauline; Rödiger, Johanna
A new polymorph of physcion
Acta Crystallographica Section C, 2012, 68, o317-o319
2018581 CIF
HKL
Paper
C16 H16 Ag4 N2 O4 S2P b c a22.1562; 6.9556; 25.0366
90; 90; 90
3858.4Sun, Di; Yan, Zhi-Hao
A novel one-dimensional silver cylinder stabilized by mixed 2-mercaptobenzoic acid and ethylenediamine ligands
Acta Crystallographica Section C, 2012, 68, m229-m232
2018582 CIF
HKL
Paper
C16 H20 N7 O9 PP 21 21 215.709; 10.284; 32.795
90; 90; 90
1925.4Ślepokura, Katarzyna
The first 3':5'-cyclic nucleotide‒amino acid complex: <small>L</small>-His‒cIMP
Acta Crystallographica Section C, 2012, 68, o311-o316
2018583 CIF
HKL
Paper
C34 H33 N O3P 1 21 111.035; 10.1713; 11.8533
90; 93.678; 90
1327.68Frampton, Christopher S.; Zhang, Tao; Scalabrino, Gaia A.; Frankish, Neil; Sheridan, Helen
(1<i>S</i>)-1-Phenylethanaminium 4-{[(1<i>S</i>,2<i>S</i>)-1-hydroxy-2,3-dihydro-1<i>H</i>,1'<i>H</i>-[2,2'-biinden]-2-yl]methyl}benzoate
Acta Crystallographica Section C, 2012, 68, o323-o326
2018584 CIF
HKL
Paper
C7 H10 O4P 1 21/c 15.989; 5.663; 22.282
90; 97.07; 90
749.96Santos, L. M.; Legendre, A. O.; Villis, P. C. M.; Viegas Jr, C.; Doriguetto, A. C.
(±)-2,2-Dimethyl-5-oxotetrahydrofuran-3-carboxylic acid (terebic acid): a racemic layered structure
Acta Crystallographica Section C, 2012, 68, o294-o297
2018585 CIF
HKL
Paper
C18.5 H20 Cl N2 O0.5 PdP 111.9699; 12.3754; 12.4793
104.369; 95.465; 95.802
1767.6Raven, William; Kalf, Irmgard; Englert, Ulli
Pseudosymmetry in a cyclopalladated compound
Acta Crystallographica Section C, 2012, 68, m223-m225
2018586 CIF
HKL
Paper
C7 H8 Br K2 N O4 S3P 1 21/c 16.1869; 7.2241; 31.941
90; 90.42; 90
1427.6Janczak, Jan; Rubinger, Mayura M. M.; Alves, Leandro C.; Oliveira, Marcelo R. L.
Poly[di-μ-aqua-[μ~6~-<i>N</i>-(4-bromophenylsulfonyl)dithiocarbimato]dipotassium] and poly[di-μ-aqua-[μ~4~-<i>N</i>-(4-iodophenylsulfonyl)dithiocarbimato]dipotassium]
Acta Crystallographica Section C, 2012, 68, m312-m316
2018587 CIF
HKL
Paper
C7 H8 I K2 N O4 S3P 1 21/c 116.155; 6.3794; 14.549
90; 91.86; 90
1498.6Janczak, Jan; Rubinger, Mayura M. M.; Alves, Leandro C.; Oliveira, Marcelo R. L.
Poly[di-μ-aqua-[μ~6~-<i>N</i>-(4-bromophenylsulfonyl)dithiocarbimato]dipotassium] and poly[di-μ-aqua-[μ~4~-<i>N</i>-(4-iodophenylsulfonyl)dithiocarbimato]dipotassium]
Acta Crystallographica Section C, 2012, 68, m312-m316
2018588 CIF
HKL
Paper
C16 H24.22 O10.11P 1 21 15.6353; 30.987; 10.817
90; 95.232; 90
1881Liu, Ya-Ling; Zou, Pei; Wu, Hao; Xie, Min-Hao; Luo, Shi-Neng
3,4,6-Tri-<i>O</i>-acetyl-1,2-<i>O</i>-[1-(<i>exo</i>-ethoxy)ethylidene]-β-<small>D</small>-mannopyranose 0.11-hydrate
Acta Crystallographica Section C, 2012, 68, o338-o340
2018589 CIF
HKL
Paper
C30 H17 B N6 O3 SP -110.5118; 11.0929; 11.2047
72.749; 75.862; 81.398
1205.77Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.
Sulfonate pseudohalides of boron subphthalocyanine
Acta Crystallographica Section C, 2012, 68, o459-o464
2018590 CIF
HKL
Paper
C30 H16 B N7 O5 SP 1 21/c 113.8349; 13.8988; 14.3887
90; 112.466; 90
2556.8Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.
Sulfonate pseudohalides of boron subphthalocyanine
Acta Crystallographica Section C, 2012, 68, o459-o464
2018591 CIF
HKL
Paper
C25 H15 B N6 O3 SP 1 21/n 111.3713; 11.6114; 16.276
90; 94.774; 90
2141.6Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.
Sulfonate pseudohalides of boron subphthalocyanine
Acta Crystallographica Section C, 2012, 68, o459-o464
2018592 CIF
HKL
Paper
C32 H34 N2 O7.5P 1 21 110.542; 17.931; 17.136
90; 107.51; 90
3089.1Zou, Pei; Wu, Hao; Liu, Yaling; Xie, Minhao; Wang, Hongyong
{5'-<i>O</i>-[Bis(4-methoxyphenyl)(phenyl)methyl]-2'-deoxy-β-<small>D</small>-threopentofuranosyl}thymine ethyl acetate 0.25-solvate
Acta Crystallographica Section C, 2012, 68, o472-o474
2018593 CIF
HKL
Paper
C15 H19 N O4P -17.3557; 8.363; 11.7128
100.453; 97.232; 104.042
676.4Smith, Graham; Wermuth, Urs D.
Hydrogen bonding in cyclic imides and amide carboxylic acid derivatives from the facile reaction of <i>cis</i>-cyclohexane-1,2-carboxylic anhydride with <i>o</i>- and <i>p</i>-anisidine and <i>m</i>- and <i>p</i>-aminobenzoic acids
Acta Crystallographica Section C, 2012, 68, o327-o331
2018594 CIF
HKL
Paper
C15 H17 N O3P 1 21/n 111.7119; 6.6705; 17.2898
90; 109.482; 90
1273.42Smith, Graham; Wermuth, Urs D.
Hydrogen bonding in cyclic imides and amide carboxylic acid derivatives from the facile reaction of <i>cis</i>-cyclohexane-1,2-carboxylic anhydride with <i>o</i>- and <i>p</i>-anisidine and <i>m</i>- and <i>p</i>-aminobenzoic acids
Acta Crystallographica Section C, 2012, 68, o327-o331
2018595 CIF
HKL
Paper
C15 H15 N O4P 21 21 216.4958; 12.5236; 16.1281
90; 90; 90
1312.03Smith, Graham; Wermuth, Urs D.
Hydrogen bonding in cyclic imides and amide carboxylic acid derivatives from the facile reaction of <i>cis</i>-cyclohexane-1,2-carboxylic anhydride with <i>o</i>- and <i>p</i>-anisidine and <i>m</i>- and <i>p</i>-aminobenzoic acids
Acta Crystallographica Section C, 2012, 68, o327-o331
2018596 CIF
HKL
Paper
C15 H17 N O5P 1 21/n 113.077; 6.6713; 16.432
90; 97.982; 90
1419.6Smith, Graham; Wermuth, Urs D.
Hydrogen bonding in cyclic imides and amide carboxylic acid derivatives from the facile reaction of <i>cis</i>-cyclohexane-1,2-carboxylic anhydride with <i>o</i>- and <i>p</i>-anisidine and <i>m</i>- and <i>p</i>-aminobenzoic acids
Acta Crystallographica Section C, 2012, 68, o327-o331
2018597 CIF
HKL
Paper
C6 H7 N O2 SP 1 21/c 14.812; 14.3729; 9.9178
90; 94.037; 90
684.24Hazra, Dipak K.; Mukherjee, Monika; Helliwell, Madeleine; Mukherjee, Alok K.
2,4-Dimethyl-1,3-thiazole-5-carboxylic acid: an X-ray structural study at 100K and Hirshfeld surface analysis
Acta Crystallographica Section C, 2012, 68, o452-o455
2018598 CIF
HKL
Paper
C14 H30 N4 OP b c a10.6137; 8.3339; 34.35
90; 90; 90
3038.4de Sousa, Alvaro S.; Sannasy, Denzel; Fernandes, Manuel A.; Marques, Helder M.
Helical self-assembly of 2-(1,4,7,10-tetraazacyclododecan-1-yl)cyclohexan-1-ol (cycyclen)
Acta Crystallographica Section C, 2012, 68, o383-o386
2018599 CIF
HKL
Paper
C21 H21 N O7 S3P 1 21/c 114.6523; 9.9342; 16.0953
90; 99.355; 90
2311.65Suarez, Sebastián; Doctorovich, Fabio; Baggio, Ricardo
Bis(4-methylphenylsulfonyl)amino 4-methylbenzenesulfonate: a new member of the (<i>R</i>SO~2~)ON(SO~2~<i>R</i>)~2~ family
Acta Crystallographica Section C, 2012, 68, o417-o420
2018600 CIF
HKL
Paper
C8 H9 N O6P 1 21/n 15.8256; 12.5648; 12.7464
90; 100.303; 90
917.96Tutughamiarso, Maya; Pisternick, Thorsten; Egert, Ernst
Pseudopolymorphs of chelidamic acid and its dimethyl ester
Acta Crystallographica Section C, 2012, 68, o344-o350
2018601 CIF
HKL
Paper
C9 H12 N2 O5P -17.3688; 11.1416; 14.3584
69.025; 79.438; 72.455
1045.7Tutughamiarso, Maya; Pisternick, Thorsten; Egert, Ernst
Pseudopolymorphs of chelidamic acid and its dimethyl ester
Acta Crystallographica Section C, 2012, 68, o344-o350
2018602 CIF
HKL
Paper
C9 H11 N O6 SP -14.746; 10.4917; 11.9787
103.592; 97.606; 101.651
557.59Tutughamiarso, Maya; Pisternick, Thorsten; Egert, Ernst
Pseudopolymorphs of chelidamic acid and its dimethyl ester
Acta Crystallographica Section C, 2012, 68, o344-o350
2018603 CIF
HKL
Paper
C9 H11 N O6I 1 2/a 117.241; 6.1519; 20.71
90; 107.96; 90
2089.6Tutughamiarso, Maya; Pisternick, Thorsten; Egert, Ernst
Pseudopolymorphs of chelidamic acid and its dimethyl ester
Acta Crystallographica Section C, 2012, 68, o344-o350
2018604 CIF
HKL
Paper
C8 H6 Cd Cl2 N4C m c m11.7374; 11.6511; 7.5484
90; 90; 90
1032.27Domasevitch, Konstantin V.; Rusanova, Julia A.; Gural'skiy, Ilya A.; Solntsev, Pavlo V.
Cadmium(II) chloride, bromide and iodide complexes with 4,4'-bipyridazine: when are diazine and halide bridges (in)compatible?
Acta Crystallographica Section C, 2012, 68, m295-m299
2018605 CIF
HKL
Paper
C8 H6 Br2 Cd N4C m c m11.7549; 11.9619; 7.869
90; 90; 90
1106.47Domasevitch, Konstantin V.; Rusanova, Julia A.; Gural'skiy, Ilya A.; Solntsev, Pavlo V.
Cadmium(II) chloride, bromide and iodide complexes with 4,4'-bipyridazine: when are diazine and halide bridges (in)compatible?
Acta Crystallographica Section C, 2012, 68, m295-m299
2018606 CIF
HKL
Paper
C8 H6 Cd2 I4 N4P 1 21/c 18.0106; 14.3621; 7.685
90; 115.855; 90
795.65Domasevitch, Konstantin V.; Rusanova, Julia A.; Gural'skiy, Ilya A.; Solntsev, Pavlo V.
Cadmium(II) chloride, bromide and iodide complexes with 4,4'-bipyridazine: when are diazine and halide bridges (in)compatible?
Acta Crystallographica Section C, 2012, 68, m295-m299
2018607 CIF
HKL
Paper
C24 H31 Cl2 N2 O3 P PtP 1 21/c 110.7361; 17.1215; 15.6226
90; 108.009; 90
2731.03Giardina-Papa, Daniela; Intini, Francesco Paolo; Natile, Giovanni; Pacifico, Concetta
<i>trans</i>-Chloridobis[(<i>Z</i>)-1-imino-1-methoxyethane-κ<i>N</i>](triphenylphosphane-κ<i>P</i>)platinum(II) chloride monohydrate
Acta Crystallographica Section C, 2012, 68, m300-m302
2018608 CIF
HKL
Paper
C20 H24 N6 O4 ZnC 1 2/c 116.203; 5.9721; 22.156
90; 99.223; 90
2116.2Wang, Jun; Xu, Xiao-Juan; Tao, Jian-Qing; Tan, Chun-Yun
A fivefold interpenetrating diamond-like three-dimensional metal‒organic framework: poly[(μ~2~-benzene-1,4-diacetato)[μ~2~-1,6-bis(1,2,4-triazol-1-yl)hexane]zinc(II)]
Acta Crystallographica Section C, 2012, 68, m309-m311
2018609 CIF
HKL
Paper
C98 H98 N18 O40 P8P 1 21/c 114.306; 26.675; 14.436
90; 99.26; 90
5437Wilk, Magdalena; Janczak, Jan; Videnova-Adrabinska, Veneta
The supramolecular architecture of tris(naphthalene-1,5-diaminium) bis(5-aminonaphthalen-1-aminium) octakis[hydrogen (5-carboxypyridin-3-yl)phosphonate]
Acta Crystallographica Section C, 2012, 68, o351-o354
2018610 CIF
HKL
Paper
C43 H40 Fe3 N2 O7 Te2P 1 21/c 111.5954; 31.7767; 23.7179
90; 99.58; 90
8617.3Piryazev, Dmitry A.; Ogienko, Mikhail A.; Virovets, Alexander V.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.
[<i>N</i>,<i>N</i>'-Bis(2,6-diisopropylphenyl)acenaphthene-1,2-diimine-1κ^2^<i>N</i>,<i>N</i>']heptacarbonyl-1κ<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-di-μ~3~-tellurido-triiiron(II)(2 <i>Fe</i>—<i>Fe</i>)
Acta Crystallographica Section C, 2012, 68, m320-m322
2018611 CIF
HKL
Paper
C16 H14 O3P -14.6539; 10.18; 14.3718
82.481; 88.127; 78.604
661.71Batsanov, Andrei S.; Howard, Judith A. K.; Wu, Na; Yang, Zhen; Marder, Todd B.
An irreversible phase transition in 1-<i>n</i>-butylindeno[2,1-<i>c</i>]pyran-3,9-dione
Acta Crystallographica Section C, 2012, 68, o413-o416
2018612 CIF
HKL
Paper
C16 H14 O3P -15.3708; 7.2029; 16.9507
96.461; 93.246; 110.029
608.98Batsanov, Andrei S.; Howard, Judith A. K.; Wu, Na; Yang, Zhen; Marder, Todd B.
An irreversible phase transition in 1-<i>n</i>-butylindeno[2,1-<i>c</i>]pyran-3,9-dione
Acta Crystallographica Section C, 2012, 68, o413-o416
2018613 CIF
HKL
Paper
C16 H14 O3P -15.433; 7.2863; 17.0874
97.426; 92.884; 108.874
631.62Batsanov, Andrei S.; Howard, Judith A. K.; Wu, Na; Yang, Zhen; Marder, Todd B.
An irreversible phase transition in 1-<i>n</i>-butylindeno[2,1-<i>c</i>]pyran-3,9-dione
Acta Crystallographica Section C, 2012, 68, o413-o416
2018614 CIF
Paper
C16 H17 N3 O5P 1 21/c 18.5813; 22.7241; 8.8506
90; 95.76; 90
1717.17Lapidus, Saul H.; Lemmerer, Andreas; Bernstein, Joel; Stephens, Peter W.
Rietveld refinement of the cocrystal 2,4-dihydroxybenzoic acid‒<i>N</i>'-(propan-2-ylidene)nicotinohydrazide (1/1)
Acta Crystallographica Section C, 2012, 68, o335-o337
2018615 CIF
HKL
Paper
C54 H48 N6 O4 S2 ZnC 1 2/c 126.6479; 10.7706; 16.4983
90; 99.187; 90
4674.5Granifo, Juan; Gaviño, Rubén; Freire, Eleonora; Baggio, Ricardo
Monodentate and bridging behaviour of the sulfur-containing ligand 4'-[4-(methylsulfanyl)phenyl]-4,2':6',4''-terpyridine in two discrete zinc(II) complexes with acetylacetonate
Acta Crystallographica Section C, 2012, 68, m269-m274
2018616 CIF
HKL
Paper
C42 H45 N3 O8 S Zn2P 1 21/c 114.1522; 13.4408; 23.3887
90; 101.342; 90
4362.04Granifo, Juan; Gaviño, Rubén; Freire, Eleonora; Baggio, Ricardo
Monodentate and bridging behaviour of the sulfur-containing ligand 4'-[4-(methylsulfanyl)phenyl]-4,2':6',4''-terpyridine in two discrete zinc(II) complexes with acetylacetonate
Acta Crystallographica Section C, 2012, 68, m269-m274
2018617 CIF
HKL
Paper
C30 H29 Cl F2 N3 O2 PP 1 21/n 110.8298; 9.9164; 26.674
90; 91.539; 90
2863.56Pourayoubi, Mehrdad; Jasinski, Jerry P.; Shoghpour Bayraq, Samad; Eshghi, Hossein; Keeley, Amanda C.; Bruno, Giuseppe; Amiri Rudbari, Hadi
Three new [<i>X</i>C(O)NH]P(O)[N(CH~2~C~6~H~5~)~2~]~2~ phosphoric triamides (<i>X</i> = CClF~2~, 3-F-C~6~H~4~ and 3,5-F~2~-C~6~H~3~): a database analysis of tertiary N-atom geometry in compounds with a C(O)NHP(O)[N]~2~ core
Acta Crystallographica Section C, 2012, 68, o399-o404
2018618 CIF
HKL
Paper
C35 H33 F N3 O2 PP -110.0173; 11.2362; 14.5992
99.351; 109.96; 91.135
1519Pourayoubi, Mehrdad; Jasinski, Jerry P.; Shoghpour Bayraq, Samad; Eshghi, Hossein; Keeley, Amanda C.; Bruno, Giuseppe; Amiri Rudbari, Hadi
Three new [<i>X</i>C(O)NH]P(O)[N(CH~2~C~6~H~5~)~2~]~2~ phosphoric triamides (<i>X</i> = CClF~2~, 3-F-C~6~H~4~ and 3,5-F~2~-C~6~H~3~): a database analysis of tertiary N-atom geometry in compounds with a C(O)NHP(O)[N]~2~ core
Acta Crystallographica Section C, 2012, 68, o399-o404
2018619 CIF
HKL
Paper
C35 H32 F2 N3 O2 PP -111.9526; 12.2897; 12.7463
102.074; 104.462; 118.262
1474.5Pourayoubi, Mehrdad; Jasinski, Jerry P.; Shoghpour Bayraq, Samad; Eshghi, Hossein; Keeley, Amanda C.; Bruno, Giuseppe; Amiri Rudbari, Hadi
Three new [<i>X</i>C(O)NH]P(O)[N(CH~2~C~6~H~5~)~2~]~2~ phosphoric triamides (<i>X</i> = CClF~2~, 3-F-C~6~H~4~ and 3,5-F~2~-C~6~H~3~): a database analysis of tertiary N-atom geometry in compounds with a C(O)NHP(O)[N]~2~ core
Acta Crystallographica Section C, 2012, 68, o399-o404
2018620 CIF
HKL
Paper
C12 H18 O3 S2P 1 21/c 115.6089; 6.7055; 14.2492
90; 111.044; 90
1391.93Traeger, J.; Kelling, A.; Schilde, U.; Holdt, H.-J.
<i>rac</i>-1-[(2-Methoxyethyl)sulfanyl]-2-[(2-methoxyethyl)sulfinyl]benzene and its PdCl~2~ complex
Acta Crystallographica Section C, 2012, 68, m238-m241
2018621 CIF
HKL
Paper
C12 H18 Cl2 O3 Pd S2P 1 21/n 110.6595; 12.9818; 12.2828
90; 96.416; 90
1689.04Traeger, J.; Kelling, A.; Schilde, U.; Holdt, H.-J.
<i>rac</i>-1-[(2-Methoxyethyl)sulfanyl]-2-[(2-methoxyethyl)sulfinyl]benzene and its PdCl~2~ complex
Acta Crystallographica Section C, 2012, 68, m238-m241
2018622 CIF
Paper
C38 H75 N O16P 21 21 2115.7098; 18.8926; 15.03575
90; 90; 90
4462.6van de Streek, Jacco
Reinterpretation of the monohydrate of clarithromycin from X-ray powder diffraction data as a trihydrate
Acta Crystallographica Section C, 2012, 68, o369-o372
2018623 CIF
HKL
Paper
C18 H31 N2 O5.5 S0.5P 21 21 2110.3504; 16.0908; 24.4828
90; 90; 90
4077.5Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław; Fruziński, Andrzej; Kopczacki, Piotr; Walczyński, Krzysztof; Remko, Milan
Novel pseudopolymorph of the active metabolite of perindopril
Acta Crystallographica Section C, 2012, 68, o341-o343
2018624 CIF
Paper
C28 H24 N2 O2 SP 1 21/c 114.9815; 10.9355; 15.549
90; 113.107; 90
2343.03Helliwell, Madeleine; Moosun, Salma; Bhowon, Minu G.; Jhaumeer-Laulloo, Sabina; Joule, John A.
Three anilides of 2,2'-thiodibenzoic acid
Acta Crystallographica Section C, 2012, 68, o387-o391
2018625 CIF
HKL
Paper
C26 H18 Br2 N2 O2 SP 1 21/c 120.6504; 15.3378; 7.5101
90; 95.52; 90
2367.66Helliwell, Madeleine; Moosun, Salma; Bhowon, Minu G.; Jhaumeer-Laulloo, Sabina; Joule, John A.
Three anilides of 2,2'-thiodibenzoic acid
Acta Crystallographica Section C, 2012, 68, o387-o391
2018626 CIF
HKL
Paper
C30 H28 N2 O2 SP 1 21/n 17.8786; 17.3269; 18.396
90; 95.787; 90
2498.47Helliwell, Madeleine; Moosun, Salma; Bhowon, Minu G.; Jhaumeer-Laulloo, Sabina; Joule, John A.
Three anilides of 2,2'-thiodibenzoic acid
Acta Crystallographica Section C, 2012, 68, o387-o391
2018627 CIF
HKL
Paper
C9 H7 N7P 1 c 13.7413; 7.8684; 15.4092
90; 91.54; 90
453.45Lysenko, Andrey B.
The heterobifunctional ligand 5-[4-(1,2,4-triazol-4-yl)phenyl]-1<i>H</i>-tetrazole and its role in the construction of a Cd^II^ metal‒organic chain structure
Acta Crystallographica Section C, 2012, 68, m291-m294
2018628 CIF
HKL
Paper
C18 H16 Cd N14 O2P -17.6554; 7.8589; 9.0762
98.926; 98.066; 108.354
501.47Lysenko, Andrey B.
The heterobifunctional ligand 5-[4-(1,2,4-triazol-4-yl)phenyl]-1<i>H</i>-tetrazole and its role in the construction of a Cd^II^ metal‒organic chain structure
Acta Crystallographica Section C, 2012, 68, m291-m294
2018629 CIF
HKL
Paper
C32 H19 Cd N3 O6P 1 21/c 111.649; 12.702; 17.72
90; 95.41; 90
2610.3Ye, Jun-Wei; Zhao, Li-Mei; Li, Wei; Ning, Gui-Ling
A new two-dimensional cadmium metal‒organic framework: poly[bis(4,7-diphenyl-1,10-phenanthroline)(μ~3~-5-nitroisophthalato)cadmium(II)]
Acta Crystallographica Section C, 2012, 68, m306-m308
2018630 CIF
HKL
Paper
C11 H13 N3 O4P 17.8754; 8.1504; 10.0893
108.637; 96.327; 104.562
580.98Seela, Frank; Mei, Hui; Xiong, Hai; Budow, Simone; Eickmeier, Henning; Reuter, Hans
5-Ethynyl-2'-deoxycytidine: a DNA building block with a `clickable' side chain
Acta Crystallographica Section C, 2012, 68, o395-o398
2018631 CIF
HKL
Paper
C16 H10 N4 O4P 1 21/c 18.304; 9.684; 17.802
90; 93.89; 90
1428.3Wang, Yi; Stoeckli-Evans, Helen
The inner-salt zwitterion, the dihydrochloride dihydrate and the dimethyl sulfoxide disolvate of 3,6-bis(pyridin-2-yl)pyrazine-2,5-dicarboxylic acid
Acta Crystallographica Section C, 2012, 68, o431-o435
2018632 CIF
HKL
Paper
C16 H16 Cl2 N4 O6P -16.857; 8.576; 9.187
63.4; 81.94; 87.47
478.19Wang, Yi; Stoeckli-Evans, Helen
The inner-salt zwitterion, the dihydrochloride dihydrate and the dimethyl sulfoxide disolvate of 3,6-bis(pyridin-2-yl)pyrazine-2,5-dicarboxylic acid
Acta Crystallographica Section C, 2012, 68, o431-o435
2018633 CIF
HKL
Paper
C20 H22 N4 O6 S2P 1 21/n 113.067; 6.138; 14.453
90; 103.59; 90
1126.8Wang, Yi; Stoeckli-Evans, Helen
The inner-salt zwitterion, the dihydrochloride dihydrate and the dimethyl sulfoxide disolvate of 3,6-bis(pyridin-2-yl)pyrazine-2,5-dicarboxylic acid
Acta Crystallographica Section C, 2012, 68, o431-o435
2018634 CIF
HKL
Paper
C17 H30 N2 O6P 21 21 218.1645; 10.0136; 23.2429
90; 90; 90
1900.25Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław; Kopczacki, Piotr; Walczyński, Krzysztof; Remko, Milan
Perindoprilat monohydrate
Acta Crystallographica Section C, 2012, 68, o443-o446
2018635 CIF
HKL
Paper
C50 H62 Cl2 N14 Ni O8P 1 21/c 17.6822; 19.039; 19.1684
90; 107.432; 90
2674.8Guo, Yi-Ping; Li, Dong-Ying; Li, Guo-Ting
Poly[[bis{μ~2~-<i>N</i>^2^,<i>N</i>^6^-bis[(pyridin-3-yl)methyl]pyridine-2,6-dicarboxamide}dichloridonickel(II)] <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate]
Acta Crystallographica Section C, 2012, 68, m284-m286
2018636 CIF
HKL
Paper
C40 H16 O4P 1 21/n 115.592; 4.3936; 17.713
90; 100.746; 90
1192.1Fouad, Farid; Bunge, Scott D.; Ellman, Brett D.; Twieg, Robert J.
Tetranaphthyleno[5,6-<i>bcd</i>:11,12-<i>b</i>'<i>c</i>'<i>d</i>':17,18-<i>b</i>''<i>c</i>''<i>d</i>'':23,24-<i>b</i>'''<i>c</i>'''<i>d</i>''']tetrafuran
Acta Crystallographica Section C, 2012, 68, o465-o467
2018637 CIF
HKL
Paper
C3 H42 K2 Ni2 O36 P6 Pd3C 1 2/c 123.6234; 12.5467; 16.0458
90; 128.934; 90
3699.5Babaryk, Artem A.; Kozachkova, Alexandra N.; Tsaryk, Natalia V.; Dudko, Anatolij V.; Pekhnyo, Vasily I.
Binary salt of a palladium(II) complex with (phosphonomethyl)phosphonic (medronic) acid comprising `handbell-like' [Pd{μ-CH~2~(PO~3~)~2~}]~3~ units
Acta Crystallographica Section C, 2012, 68, m242-m245
2018638 CIF
HKL
Paper
Ni1.88 Sn2.15 Zn1.1P m -3 m8.845; 8.845; 8.845
90; 90; 90
691.98Schmetterer, Clemens; Rajamohan, Divakar; Effenberger, Herta Silvia; Flandorfer, Hans
Ni~2~Sn~2~Zn from single-crystal X-ray diffraction
Acta Crystallographica Section C, 2012, 68, i65-i67

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