Dimethyl (7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)phosphonate

In the title compound, C12H13O6P, the coumarin ring system is essentially planar [dihedral angle between the rings = 1.32 (16)°] and the methoxy groups and double-bonded O atom of the phosphonate group are disordered over two sets of sites [occupancy ratio 0.537 (2):0.463 (2)]. In the crystal, C—H.....
Ausführliche Beschreibung

Gespeichert in:

Autor*in:	Yunfei Li [verfasserIn] Yongmei Xiao [verfasserIn] Xinchi Zhang [verfasserIn] Liangru Yang [verfasserIn] Jinwei Yuan [verfasserIn] Pu Mao [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2017

Schlagwörter:	crystal structure 3-phosphorated coumarin hydrogen bonding

Übergeordnetes Werk:	In: IUCrData - International Union of Crystallography, 2016, 2(2017), 8, p x171119
Übergeordnetes Werk:	volume:2 ; year:2017 ; number:8, p x171119

Links:	Link aufrufen Link aufrufen Link aufrufen Journal toc

DOI / URN:	10.1107/S2414314617011191

Katalog-ID:	DOAJ008282196

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520			\|a In the title compound, C12H13O6P, the coumarin ring system is essentially planar [dihedral angle between the rings = 1.32 (16)°] and the methoxy groups and double-bonded O atom of the phosphonate group are disordered over two sets of sites [occupancy ratio 0.537 (2):0.463 (2)]. In the crystal, C—H...O hydrogen bonds involving the disordered phosphonate O atom as acceptor occur, which generate [100] chains. Weak C—H...O and aromatic π–π stacking interactions [minimum centroid–centroid separation = 3.713 (2) Å] are also observed.
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spelling	10.1107/S2414314617011191 doi (DE-627)DOAJ008282196 (DE-599)DOAJ8e26897bcfa84a35b9212e8813f4668d DE-627 ger DE-627 rakwb eng QD901-999 Yunfei Li verfasserin aut Dimethyl (7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)phosphonate 2017 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier In the title compound, C12H13O6P, the coumarin ring system is essentially planar [dihedral angle between the rings = 1.32 (16)°] and the methoxy groups and double-bonded O atom of the phosphonate group are disordered over two sets of sites [occupancy ratio 0.537 (2):0.463 (2)]. In the crystal, C—H...O hydrogen bonds involving the disordered phosphonate O atom as acceptor occur, which generate [100] chains. Weak C—H...O and aromatic π–π stacking interactions [minimum centroid–centroid separation = 3.713 (2) Å] are also observed. crystal structure 3-phosphorated coumarin hydrogen bonding Crystallography Yongmei Xiao verfasserin aut Xinchi Zhang verfasserin aut Liangru Yang verfasserin aut Jinwei Yuan verfasserin aut Pu Mao verfasserin aut In IUCrData International Union of Crystallography, 2016 2(2017), 8, p x171119 (DE-627)848322010 (DE-600)2847714-5 24143146 nnns volume:2 year:2017 number:8, p x171119 https://doi.org/10.1107/S2414314617011191 kostenfrei https://doaj.org/article/8e26897bcfa84a35b9212e8813f4668d kostenfrei http://scripts.iucr.org/cgi-bin/paper?S2414314617011191 kostenfrei https://doaj.org/toc/2414-3146 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 2 2017 8, p x171119
allfields_unstemmed	10.1107/S2414314617011191 doi (DE-627)DOAJ008282196 (DE-599)DOAJ8e26897bcfa84a35b9212e8813f4668d DE-627 ger DE-627 rakwb eng QD901-999 Yunfei Li verfasserin aut Dimethyl (7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)phosphonate 2017 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier In the title compound, C12H13O6P, the coumarin ring system is essentially planar [dihedral angle between the rings = 1.32 (16)°] and the methoxy groups and double-bonded O atom of the phosphonate group are disordered over two sets of sites [occupancy ratio 0.537 (2):0.463 (2)]. In the crystal, C—H...O hydrogen bonds involving the disordered phosphonate O atom as acceptor occur, which generate [100] chains. Weak C—H...O and aromatic π–π stacking interactions [minimum centroid–centroid separation = 3.713 (2) Å] are also observed. crystal structure 3-phosphorated coumarin hydrogen bonding Crystallography Yongmei Xiao verfasserin aut Xinchi Zhang verfasserin aut Liangru Yang verfasserin aut Jinwei Yuan verfasserin aut Pu Mao verfasserin aut In IUCrData International Union of Crystallography, 2016 2(2017), 8, p x171119 (DE-627)848322010 (DE-600)2847714-5 24143146 nnns volume:2 year:2017 number:8, p x171119 https://doi.org/10.1107/S2414314617011191 kostenfrei https://doaj.org/article/8e26897bcfa84a35b9212e8813f4668d kostenfrei http://scripts.iucr.org/cgi-bin/paper?S2414314617011191 kostenfrei https://doaj.org/toc/2414-3146 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 2 2017 8, p x171119
allfieldsGer	10.1107/S2414314617011191 doi (DE-627)DOAJ008282196 (DE-599)DOAJ8e26897bcfa84a35b9212e8813f4668d DE-627 ger DE-627 rakwb eng QD901-999 Yunfei Li verfasserin aut Dimethyl (7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)phosphonate 2017 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier In the title compound, C12H13O6P, the coumarin ring system is essentially planar [dihedral angle between the rings = 1.32 (16)°] and the methoxy groups and double-bonded O atom of the phosphonate group are disordered over two sets of sites [occupancy ratio 0.537 (2):0.463 (2)]. In the crystal, C—H...O hydrogen bonds involving the disordered phosphonate O atom as acceptor occur, which generate [100] chains. Weak C—H...O and aromatic π–π stacking interactions [minimum centroid–centroid separation = 3.713 (2) Å] are also observed. crystal structure 3-phosphorated coumarin hydrogen bonding Crystallography Yongmei Xiao verfasserin aut Xinchi Zhang verfasserin aut Liangru Yang verfasserin aut Jinwei Yuan verfasserin aut Pu Mao verfasserin aut In IUCrData International Union of Crystallography, 2016 2(2017), 8, p x171119 (DE-627)848322010 (DE-600)2847714-5 24143146 nnns volume:2 year:2017 number:8, p x171119 https://doi.org/10.1107/S2414314617011191 kostenfrei https://doaj.org/article/8e26897bcfa84a35b9212e8813f4668d kostenfrei http://scripts.iucr.org/cgi-bin/paper?S2414314617011191 kostenfrei https://doaj.org/toc/2414-3146 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 2 2017 8, p x171119
allfieldsSound	10.1107/S2414314617011191 doi (DE-627)DOAJ008282196 (DE-599)DOAJ8e26897bcfa84a35b9212e8813f4668d DE-627 ger DE-627 rakwb eng QD901-999 Yunfei Li verfasserin aut Dimethyl (7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)phosphonate 2017 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier In the title compound, C12H13O6P, the coumarin ring system is essentially planar [dihedral angle between the rings = 1.32 (16)°] and the methoxy groups and double-bonded O atom of the phosphonate group are disordered over two sets of sites [occupancy ratio 0.537 (2):0.463 (2)]. In the crystal, C—H...O hydrogen bonds involving the disordered phosphonate O atom as acceptor occur, which generate [100] chains. Weak C—H...O and aromatic π–π stacking interactions [minimum centroid–centroid separation = 3.713 (2) Å] are also observed. crystal structure 3-phosphorated coumarin hydrogen bonding Crystallography Yongmei Xiao verfasserin aut Xinchi Zhang verfasserin aut Liangru Yang verfasserin aut Jinwei Yuan verfasserin aut Pu Mao verfasserin aut In IUCrData International Union of Crystallography, 2016 2(2017), 8, p x171119 (DE-627)848322010 (DE-600)2847714-5 24143146 nnns volume:2 year:2017 number:8, p x171119 https://doi.org/10.1107/S2414314617011191 kostenfrei https://doaj.org/article/8e26897bcfa84a35b9212e8813f4668d kostenfrei http://scripts.iucr.org/cgi-bin/paper?S2414314617011191 kostenfrei https://doaj.org/toc/2414-3146 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 2 2017 8, p x171119
language	English
source	In IUCrData 2(2017), 8, p x171119 volume:2 year:2017 number:8, p x171119
sourceStr	In IUCrData 2(2017), 8, p x171119 volume:2 year:2017 number:8, p x171119
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institution	findex.gbv.de
topic_facet	crystal structure 3-phosphorated coumarin hydrogen bonding Crystallography
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authorswithroles_txt_mv	Yunfei Li @@aut@@ Yongmei Xiao @@aut@@ Xinchi Zhang @@aut@@ Liangru Yang @@aut@@ Jinwei Yuan @@aut@@ Pu Mao @@aut@@
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callnumber-first	Q - Science
author	Yunfei Li
spellingShingle	Yunfei Li misc QD901-999 misc crystal structure misc 3-phosphorated coumarin misc hydrogen bonding misc Crystallography Dimethyl (7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)phosphonate
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topic_title	QD901-999 Dimethyl (7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)phosphonate crystal structure 3-phosphorated coumarin hydrogen bonding
topic	misc QD901-999 misc crystal structure misc 3-phosphorated coumarin misc hydrogen bonding misc Crystallography
topic_unstemmed	misc QD901-999 misc crystal structure misc 3-phosphorated coumarin misc hydrogen bonding misc Crystallography
topic_browse	misc QD901-999 misc crystal structure misc 3-phosphorated coumarin misc hydrogen bonding misc Crystallography
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title	Dimethyl (7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)phosphonate
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title_full	Dimethyl (7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)phosphonate
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author_browse	Yunfei Li Yongmei Xiao Xinchi Zhang Liangru Yang Jinwei Yuan Pu Mao
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title_sort	dimethyl (7-hydroxy-4-methyl-2-oxo-2h-chromen-3-yl)phosphonate
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title_auth	Dimethyl (7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)phosphonate
abstract	In the title compound, C12H13O6P, the coumarin ring system is essentially planar [dihedral angle between the rings = 1.32 (16)°] and the methoxy groups and double-bonded O atom of the phosphonate group are disordered over two sets of sites [occupancy ratio 0.537 (2):0.463 (2)]. In the crystal, C—H...O hydrogen bonds involving the disordered phosphonate O atom as acceptor occur, which generate [100] chains. Weak C—H...O and aromatic π–π stacking interactions [minimum centroid–centroid separation = 3.713 (2) Å] are also observed.
abstractGer	In the title compound, C12H13O6P, the coumarin ring system is essentially planar [dihedral angle between the rings = 1.32 (16)°] and the methoxy groups and double-bonded O atom of the phosphonate group are disordered over two sets of sites [occupancy ratio 0.537 (2):0.463 (2)]. In the crystal, C—H...O hydrogen bonds involving the disordered phosphonate O atom as acceptor occur, which generate [100] chains. Weak C—H...O and aromatic π–π stacking interactions [minimum centroid–centroid separation = 3.713 (2) Å] are also observed.
abstract_unstemmed	In the title compound, C12H13O6P, the coumarin ring system is essentially planar [dihedral angle between the rings = 1.32 (16)°] and the methoxy groups and double-bonded O atom of the phosphonate group are disordered over two sets of sites [occupancy ratio 0.537 (2):0.463 (2)]. In the crystal, C—H...O hydrogen bonds involving the disordered phosphonate O atom as acceptor occur, which generate [100] chains. Weak C—H...O and aromatic π–π stacking interactions [minimum centroid–centroid separation = 3.713 (2) Å] are also observed.
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title_short	Dimethyl (7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)phosphonate
url	https://doi.org/10.1107/S2414314617011191 https://doaj.org/article/8e26897bcfa84a35b9212e8813f4668d http://scripts.iucr.org/cgi-bin/paper?S2414314617011191 https://doaj.org/toc/2414-3146
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author2	Yongmei Xiao Xinchi Zhang Liangru Yang Jinwei Yuan Pu Mao
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up_date	2024-07-03T17:02:56.484Z
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score	7.3989754

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Dimethyl (7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)phosphonate

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Zugang & Verfügbarkeit

Vorhandene Bände

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