Crystallography Open Database

Result: there are 149 entries in the selection

Switch to the old layout of the page

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)

Searching journal of publication like 'Acta Crystallographica Section B' volume of publication is 69

Left arrow Left arrow First | Left arrow Previous 50 | of 3 | Next 50 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
2021874 CIF
Paper
C40 H26 F10 N6 O6 S2 ZnP -110.0901; 20.3099; 22.312
65.5992; 88.3686; 89.7419
4162.14Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie
Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine ZnIIcomplexes
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2013, 69, 43
2021875 CIF
Paper
C40 H26 Cl4 F6 N6 O6 S2 ZnP -110.2008; 10.279; 21.6355
93.942; 91.113; 90.349
2262.7Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie
Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine ZnIIcomplexes
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2013, 69, 43
2021876 CIF
Paper
C40 H26 Br4 F6 N6 O6 S2 ZnP -110.2631; 10.4481; 22.1315
83.959; 88.508; 89.483
2359.1Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie
Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine ZnIIcomplexes
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2013, 69, 43
2021877 CIF
Paper
C40 H26 F6 I4 N6 O6 S2 ZnP -113.3328; 14.3957; 14.6008
95.972; 110.04; 99.907
2552.9Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie
Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine ZnIIcomplexes
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2013, 69, 43
2021878 CIF
Paper
C10 H13 Cl N2 O3 SP 21 21 2126.573; 4.8587; 8.8165
90; 90; 90
1138.3Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.
A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2013, 69, 77
2021879 CIFC10 H13 Cl N2 O3 SP 21 21 2126.5733; 4.7178; 8.6406
90; 90; 90
1083.25Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.
A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2013, 69, 77
2021880 CIFC10 H13 Cl N2 O3 SP 21 21 2126.605; 4.6688; 8.5711
90; 90; 90
1064.65Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.
A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2013, 69, 77
2021881 CIFC10 H13 Cl N2 O3 SP 21 21 2126.6068; 4.6576; 8.5556
90; 90; 90
1060.24Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.
A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2013, 69, 77
2021882 CIFC10 H13 Cl N2 O3 SP 21 1 125.602; 4.634; 8.8525
99.109; 90; 90
1037.01Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.
A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2013, 69, 77
2021883 CIFC10 H13 Cl N2 O3 SP 21 1 125.522; 4.6023; 8.8298
99.477; 90; 90
1023Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.
A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2013, 69, 77
2105309 CIF
Paper
C13 H19 F6 O2 P PdP 1 21/c 19.3166; 15.4676; 12.6132
90; 119.016; 90
1589.49Hill, Tania N.; Roodt, Andreas; Steyl, Gideon
Electronic influence of β-diketonato-type ligands on the coordination of 1,5-cyclooctadiene to palladium(II) as defined by `Venus fly trap' geometric parameters
Acta Crystallographica Section B, 2013, 69, 36-42
2105310 CIF
HKL
Paper
C13 H19 B F4 O2 PdP c a 2126.2908; 7.1684; 7.7782
90; 90; 90
1465.9Hill, Tania N.; Roodt, Andreas; Steyl, Gideon
Electronic influence of β-diketonato-type ligands on the coordination of 1,5-cyclooctadiene to palladium(II) as defined by `Venus fly trap' geometric parameters
Acta Crystallographica Section B, 2013, 69, 36-42
2105311 CIF
Paper
C16 H16 F9 O2 P Pd SP 1 21/c 19.9691; 17.0294; 13.6427
90; 124.439; 90
1910.15Hill, Tania N.; Roodt, Andreas; Steyl, Gideon
Electronic influence of β-diketonato-type ligands on the coordination of 1,5-cyclooctadiene to palladium(II) as defined by `Venus fly trap' geometric parameters
Acta Crystallographica Section B, 2013, 69, 36-42
2105312 CIF
Paper
C16 H16 B F7 O2 Pd SP 1 21/c 110.0528; 16.6333; 13.16
90; 125.684; 90
1787.35Hill, Tania N.; Roodt, Andreas; Steyl, Gideon
Electronic influence of β-diketonato-type ligands on the coordination of 1,5-cyclooctadiene to palladium(II) as defined by `Venus fly trap' geometric parameters
Acta Crystallographica Section B, 2013, 69, 36-42
2105313 CIF
HKL
Paper
C13 H13 F12 O2 P PdP 1 21/c 18.5885; 10.6304; 19.4093
90; 93.415; 90
1768.91Hill, Tania N.; Roodt, Andreas; Steyl, Gideon
Electronic influence of β-diketonato-type ligands on the coordination of 1,5-cyclooctadiene to palladium(II) as defined by `Venus fly trap' geometric parameters
Acta Crystallographica Section B, 2013, 69, 36-42
2105314 CIF
HKL
Paper
C40 H26 F10 N6 O6 S2 ZnP -110.0901; 20.3099; 22.312
65.5992; 88.3686; 89.7419
4162.14Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie
Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine Zn^II^ complexes
Acta Crystallographica Section B, 2013, 69, 43-54
2105315 CIF
HKL
Paper
C40 H26 Cl4 F6 N6 O6 S2 ZnP -110.2008; 10.279; 21.6355
93.942; 91.113; 90.349
2262.7Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie
Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine Zn^II^ complexes
Acta Crystallographica Section B, 2013, 69, 43-54
2105316 CIF
HKL
Paper
C40 H26 Br4 F6 N6 O6 S2 ZnP -110.2631; 10.4481; 22.1315
83.959; 88.508; 89.483
2359.1Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie
Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine Zn^II^ complexes
Acta Crystallographica Section B, 2013, 69, 43-54
2105317 CIF
HKL
Paper
C40 H26 F6 I4 N6 O6 S2 ZnP -113.3328; 14.3957; 14.6008
95.972; 110.04; 99.907
2552.9Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie
Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine Zn^II^ complexes
Acta Crystallographica Section B, 2013, 69, 43-54
2105318 CIF
Paper
C60 H40 N8 O16P 1 21/n 110.687; 22.4852; 22.6756
90; 101.721; 90
5335.31Mocilac, Pavle; Gallagher, John F.
Entry point into new trimeric and tetrameric imide-based macrocyclic esters derived from isophthaloyl dichloride and methyl 6-aminonicotinate
Acta Crystallographica Section B, 2013, 69, 62-69
2105319 CIF
Paper
C45 H30 N6 O12P -116.3411; 16.5747; 17.4806
87.273; 83.35; 89.825
4697.4Mocilac, Pavle; Gallagher, John F.
Entry point into new trimeric and tetrameric imide-based macrocyclic esters derived from isophthaloyl dichloride and methyl 6-aminonicotinate
Acta Crystallographica Section B, 2013, 69, 62-69
2105320 CIF
Paper
C10 H13 Cl N2 O3 SP 21 21 2126.573; 4.8587; 8.8165
90; 90; 90
1138.3Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.
A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution
Acta Crystallographica Section B, 2013, 69, 77-85
2105321 CIF
Paper
C10 H13 Cl N2 O3 SP 21 21 2126.5733; 4.7178; 8.6406
90; 90; 90
1083.25Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.
A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution
Acta Crystallographica Section B, 2013, 69, 77-85
2105322 CIF
Paper
C10 H13 Cl N2 O3 SP 21 21 2126.605; 4.6688; 8.5711
90; 90; 90
1064.65Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.
A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution
Acta Crystallographica Section B, 2013, 69, 77-85
2105323 CIF
Paper
C10 H13 Cl N2 O3 SP 21 21 2126.6068; 4.6576; 8.5556
90; 90; 90
1060.24Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.
A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution
Acta Crystallographica Section B, 2013, 69, 77-85
2105324 CIF
Paper
C10 H13 Cl N2 O3 SP 21 1 125.602; 4.634; 8.8525
99.109; 90; 90
1037.01Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.
A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution
Acta Crystallographica Section B, 2013, 69, 77-85
2105325 CIF
Paper
C10 H13 Cl N2 O3 SP 21 1 125.522; 4.6023; 8.8298
99.477; 90; 90
1023Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.
A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution
Acta Crystallographica Section B, 2013, 69, 77-85
2105326 CIF
HKL
Paper
C28 H30 N2 O6 P2P 1 21/c 115.7039; 5.3299; 16.932
90; 111.26; 90
1320.8Gholivand, Khodayar; Valmoozi, Ali A. Ebrahimi; Mahzouni, Hamid R.
Structural and electronic aspects of hydrogen bonding in two polymorphs of butylene-<i>N</i>,<i>N</i>'-bis(<i>O</i>,<i>O</i>'-diarylphosphoramidate)
Acta Crystallographica Section B, 2013, 69, 55-61
2105327 CIF
HKL
Paper
C28 H30 N2 O6 P2P 1 21/n 19.6437; 14.3801; 10.3503
90; 113.659; 90
1314.7Gholivand, Khodayar; Valmoozi, Ali A. Ebrahimi; Mahzouni, Hamid R.
Structural and electronic aspects of hydrogen bonding in two polymorphs of butylene-<i>N</i>,<i>N</i>'-bis(<i>O</i>,<i>O</i>'-diarylphosphoramidate)
Acta Crystallographica Section B, 2013, 69, 55-61
2105328 CIF
Paper
C3 H8 N2 OF d d 211.3837; 19.6293; 4.56079
90; 90; 90
1019.13Näther, Christian; Döring, Cindy; Jess, Inke; Jones, Peter G.; Taouss, Christina
Thermodynamic and structural relationships between the two polymorphs of 1,3-dimethylurea
Acta Crystallographica Section B, 2013, 69, 70-76
2105329 CIF
HKL
Paper
C3 H8 N2 OP 21 21 210.8522; 4.9102; 4.5766
90; 90; 90
243.87Näther, Christian; Döring, Cindy; Jess, Inke; Jones, Peter G.; Taouss, Christina
Thermodynamic and structural relationships between the two polymorphs of 1,3-dimethylurea
Acta Crystallographica Section B, 2013, 69, 70-76
2105439 CIF
Paper
C7 H13 F3 N3 O2 PP 1 21/a 111.3416; 9.0552; 11.803
90; 109.413; 90
1143.26Pourayoubi, Mehrdad; Toghraee, Maryam; Divjakovic, Vladimir; van der Lee, Arie; Mancilla Percino, Teresa; Leyva Ramírez, Marco A.; Saneei, Anahid
Analysis of N—H···O hydrogen bonds in new C(O)—NH—P(O)-based phosphoric triamides and analogous structures deposited in the Cambridge Structural Database
Acta Crystallographica Section B, 2013, 69, 184-194
2105440 CIF
Paper
C21 H32 Cl2 N3 O2 PP 1 21/n 110.1526; 12.902; 18.5334
90; 92.724; 90
2424.93Pourayoubi, Mehrdad; Toghraee, Maryam; Divjakovic, Vladimir; van der Lee, Arie; Mancilla Percino, Teresa; Leyva Ramírez, Marco A.; Saneei, Anahid
Analysis of N—H···O hydrogen bonds in new C(O)—NH—P(O)-based phosphoric triamides and analogous structures deposited in the Cambridge Structural Database
Acta Crystallographica Section B, 2013, 69, 184-194
2105441 CIF
Paper
C23 H24 Cl2 N3 O2 PP 1 21/c 110.0375; 23.0525; 10.17
90; 96.809; 90
2336.63Pourayoubi, Mehrdad; Toghraee, Maryam; Divjakovic, Vladimir; van der Lee, Arie; Mancilla Percino, Teresa; Leyva Ramírez, Marco A.; Saneei, Anahid
Analysis of N—H···O hydrogen bonds in new C(O)—NH—P(O)-based phosphoric triamides and analogous structures deposited in the Cambridge Structural Database
Acta Crystallographica Section B, 2013, 69, 184-194
2105442 CIF
HKL
Paper
C15 H24 Cl2 N3 O2 PP -19.7455; 10.0122; 11.7163
66.278; 67.729; 84.121
966.85Pourayoubi, Mehrdad; Toghraee, Maryam; Divjakovic, Vladimir; van der Lee, Arie; Mancilla Percino, Teresa; Leyva Ramírez, Marco A.; Saneei, Anahid
Analysis of N—H···O hydrogen bonds in new C(O)—NH—P(O)-based phosphoric triamides and analogous structures deposited in the Cambridge Structural Database
Acta Crystallographica Section B, 2013, 69, 184-194
2105443 CIF
HKL
Paper
C80.75 H175.5 O82.25C 1 2 128.7452; 27.0276; 15.7252
90; 95.827; 90
12154Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane
A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K
Acta Crystallographica Section B, 2013, 69, 214-227
2105444 CIF
HKL
Paper
C79.46 H120.12 O73.55C 1 2 128.725; 27.195; 15.838
90; 95.92; 90
12306Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane
A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K
Acta Crystallographica Section B, 2013, 69, 214-227
2105445 CIF
HKL
Paper
C78.5 H86.4 O73.2C 1 2 128.712; 27.267; 15.79
90; 95.4; 90
12307Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane
A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K
Acta Crystallographica Section B, 2013, 69, 214-227
2105446 CIF
Paper
C4 H10 OP 15.10141; 5.53079; 9.0323
79.0266; 75.7579; 78.8261
239.586Derollez, Patrick; Hédoux, Alain; Guinet, Yannick; Danède, Florence; Paccou, Laurent
Structure determination of the crystalline phase of <i>n</i>-butanol by powder X-ray diffraction and study of intermolecular associations by Raman spectroscopy
Acta Crystallographica Section B, 2013, 69, 195-202
2105447 CIF
HKL
Paper
C5 H11 N O7P 1 21/c 112.456; 6.4891; 11.338
90; 113.57; 90
840Zakharov, Boris A.; Boldyreva, Elena V.
A high-pressure single-crystal to single-crystal phase transition in <small>DL</small>-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds
Acta Crystallographica Section B, 2013, 69, 271-280
2105448 CIF
HKL
Paper
C5 H11 N O7P 1 21/c 112.451; 6.4259; 11.317
90; 113.54; 90
830.1Zakharov, Boris A.; Boldyreva, Elena V.
A high-pressure single-crystal to single-crystal phase transition in <small>DL</small>-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds
Acta Crystallographica Section B, 2013, 69, 271-280
2105449 CIF
HKL
Paper
C5 H11 N O7P 1 21/c 112.421; 6.2751; 11.273
90; 113.48; 90
805.9Zakharov, Boris A.; Boldyreva, Elena V.
A high-pressure single-crystal to single-crystal phase transition in <small>DL</small>-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds
Acta Crystallographica Section B, 2013, 69, 271-280
2105450 CIF
HKL
Paper
C5 H11 N O7P 1 21/c 112.406; 6.1807; 11.236
90; 113.29; 90
791.3Zakharov, Boris A.; Boldyreva, Elena V.
A high-pressure single-crystal to single-crystal phase transition in <small>DL</small>-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds
Acta Crystallographica Section B, 2013, 69, 271-280
2105451 CIF
HKL
Paper
C5 H11 N O7P 1 21/c 112.142; 6.1377; 11.231
90; 116.97; 90
746Zakharov, Boris A.; Boldyreva, Elena V.
A high-pressure single-crystal to single-crystal phase transition in <small>DL</small>-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds
Acta Crystallographica Section B, 2013, 69, 271-280
2105452 CIF
HKL
Paper
C5 H11 N O7P 1 21/c 112.037; 6.0534; 11.211
90; 117.41; 90
725.2Zakharov, Boris A.; Boldyreva, Elena V.
A high-pressure single-crystal to single-crystal phase transition in <small>DL</small>-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds
Acta Crystallographica Section B, 2013, 69, 271-280
2105453 CIF
HKL
Paper
C5 H11 N O7P 1 21/c 111.976; 6.0032; 11.199
90; 117.61; 90
713.5Zakharov, Boris A.; Boldyreva, Elena V.
A high-pressure single-crystal to single-crystal phase transition in <small>DL</small>-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds
Acta Crystallographica Section B, 2013, 69, 271-280
2105454 CIF
HKL
Paper
C5 H11 N O7P 1 21/c 111.905; 5.9492; 11.185
90; 117.79; 90
700.8Zakharov, Boris A.; Boldyreva, Elena V.
A high-pressure single-crystal to single-crystal phase transition in <small>DL</small>-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds
Acta Crystallographica Section B, 2013, 69, 271-280
2105455 CIF
HKL
Paper
C5 H11 N O7P 1 21/c 111.807; 5.8748; 11.164
90; 117.98; 90
683.9Zakharov, Boris A.; Boldyreva, Elena V.
A high-pressure single-crystal to single-crystal phase transition in <small>DL</small>-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds
Acta Crystallographica Section B, 2013, 69, 271-280
2105456 CIF
HKL
Paper
C16 H10 Br N O3P 1 21/n 15.466; 17.381; 13.948
90; 92.079; 90
1324.3Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda
Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides
Acta Crystallographica Section B, 2013, 69, 294-309
2105457 CIF
HKL
Paper
C16 H10 Br N O3P c a 2123.047; 4.8246; 12.075
90; 90; 90
1342.7Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda
Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides
Acta Crystallographica Section B, 2013, 69, 294-309

Left arrow Left arrow First | Left arrow Previous 50 | of 3 | Next 50 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!