Crystallography Open Database

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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

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