Crystal structure of (4Z)-4-[(dimethylamino)methylidene]-3,5-dioxo-2-phenylpyrazolidine-1-carbaldehyde

In the title compound, C13H13N3O3, the pyrazolidine ring adopts a shallow envelope conformation, with the carbonyl C atom closest to the benzene ring as the flap [deviation of 0.126 (1) Å from the plane through the remaining atoms (r.m.s. deviation = 0.011 Å)]. The dihedral angle between the pyrazol...
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Autor*in:	Joel T. Mague [verfasserIn] Shaaban K. Mohamed [verfasserIn] Mehmet Akkurt [verfasserIn] Eman A. Ahmed [verfasserIn] Ahmed Khodairy [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2015

Schlagwörter:	crystal structure pyrazolones short intramolecular C—H...O contact C—H...O hydrogen bonds C—H...π interactions

Übergeordnetes Werk:	In: Acta Crystallographica Section E: Crystallographic Communications - International Union of Crystallography, 2015, 71(2015), 7, Seite o440-o441
Übergeordnetes Werk:	volume:71 ; year:2015 ; number:7 ; pages:o440-o441

Links:	Link aufrufen Link aufrufen Link aufrufen Journal toc

DOI / URN:	10.1107/S2056989015010038

Katalog-ID:	DOAJ075797844

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520			\|a In the title compound, C13H13N3O3, the pyrazolidine ring adopts a shallow envelope conformation, with the carbonyl C atom closest to the benzene ring as the flap [deviation of 0.126 (1) Å from the plane through the remaining atoms (r.m.s. deviation = 0.011 Å)]. The dihedral angle between the pyrazolidine ring (all atoms) and the benzene ring is 51.09 (4)°. An extremely short (2.08 Å) intramolecular C—H...O contact is seen. In the crystal, molecules are linked by C—H...O bonds, generating [010] chains. Extremely weak C—H...π interactions are also observed.
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spelling	10.1107/S2056989015010038 doi (DE-627)DOAJ075797844 (DE-599)DOAJ8ec63411c5cb4dd4b03c6f51bcf0a6a1 DE-627 ger DE-627 rakwb eng QD901-999 Joel T. Mague verfasserin aut Crystal structure of (4Z)-4-[(dimethylamino)methylidene]-3,5-dioxo-2-phenylpyrazolidine-1-carbaldehyde 2015 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier In the title compound, C13H13N3O3, the pyrazolidine ring adopts a shallow envelope conformation, with the carbonyl C atom closest to the benzene ring as the flap [deviation of 0.126 (1) Å from the plane through the remaining atoms (r.m.s. deviation = 0.011 Å)]. The dihedral angle between the pyrazolidine ring (all atoms) and the benzene ring is 51.09 (4)°. An extremely short (2.08 Å) intramolecular C—H...O contact is seen. In the crystal, molecules are linked by C—H...O bonds, generating [010] chains. Extremely weak C—H...π interactions are also observed. crystal structure pyrazolones short intramolecular C—H...O contact C—H...O hydrogen bonds C—H...π interactions Crystallography Shaaban K. Mohamed verfasserin aut Mehmet Akkurt verfasserin aut Eman A. Ahmed verfasserin aut Ahmed Khodairy verfasserin aut In Acta Crystallographica Section E: Crystallographic Communications International Union of Crystallography, 2015 71(2015), 7, Seite o440-o441 (DE-627)845400835 (DE-600)2843762-7 20569890 nnns volume:71 year:2015 number:7 pages:o440-o441 https://doi.org/10.1107/S2056989015010038 kostenfrei https://doaj.org/article/8ec63411c5cb4dd4b03c6f51bcf0a6a1 kostenfrei http://scripts.iucr.org/cgi-bin/paper?S2056989015010038 kostenfrei https://doaj.org/toc/2056-9890 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 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_4338 GBV_ILN_4367 GBV_ILN_4700 AR 71 2015 7 o440-o441
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allfieldsGer	10.1107/S2056989015010038 doi (DE-627)DOAJ075797844 (DE-599)DOAJ8ec63411c5cb4dd4b03c6f51bcf0a6a1 DE-627 ger DE-627 rakwb eng QD901-999 Joel T. Mague verfasserin aut Crystal structure of (4Z)-4-[(dimethylamino)methylidene]-3,5-dioxo-2-phenylpyrazolidine-1-carbaldehyde 2015 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier In the title compound, C13H13N3O3, the pyrazolidine ring adopts a shallow envelope conformation, with the carbonyl C atom closest to the benzene ring as the flap [deviation of 0.126 (1) Å from the plane through the remaining atoms (r.m.s. deviation = 0.011 Å)]. The dihedral angle between the pyrazolidine ring (all atoms) and the benzene ring is 51.09 (4)°. An extremely short (2.08 Å) intramolecular C—H...O contact is seen. In the crystal, molecules are linked by C—H...O bonds, generating [010] chains. Extremely weak C—H...π interactions are also observed. crystal structure pyrazolones short intramolecular C—H...O contact C—H...O hydrogen bonds C—H...π interactions Crystallography Shaaban K. Mohamed verfasserin aut Mehmet Akkurt verfasserin aut Eman A. Ahmed verfasserin aut Ahmed Khodairy verfasserin aut In Acta Crystallographica Section E: Crystallographic Communications International Union of Crystallography, 2015 71(2015), 7, Seite o440-o441 (DE-627)845400835 (DE-600)2843762-7 20569890 nnns volume:71 year:2015 number:7 pages:o440-o441 https://doi.org/10.1107/S2056989015010038 kostenfrei https://doaj.org/article/8ec63411c5cb4dd4b03c6f51bcf0a6a1 kostenfrei http://scripts.iucr.org/cgi-bin/paper?S2056989015010038 kostenfrei https://doaj.org/toc/2056-9890 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 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_4338 GBV_ILN_4367 GBV_ILN_4700 AR 71 2015 7 o440-o441
allfieldsSound	10.1107/S2056989015010038 doi (DE-627)DOAJ075797844 (DE-599)DOAJ8ec63411c5cb4dd4b03c6f51bcf0a6a1 DE-627 ger DE-627 rakwb eng QD901-999 Joel T. Mague verfasserin aut Crystal structure of (4Z)-4-[(dimethylamino)methylidene]-3,5-dioxo-2-phenylpyrazolidine-1-carbaldehyde 2015 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier In the title compound, C13H13N3O3, the pyrazolidine ring adopts a shallow envelope conformation, with the carbonyl C atom closest to the benzene ring as the flap [deviation of 0.126 (1) Å from the plane through the remaining atoms (r.m.s. deviation = 0.011 Å)]. The dihedral angle between the pyrazolidine ring (all atoms) and the benzene ring is 51.09 (4)°. An extremely short (2.08 Å) intramolecular C—H...O contact is seen. In the crystal, molecules are linked by C—H...O bonds, generating [010] chains. Extremely weak C—H...π interactions are also observed. crystal structure pyrazolones short intramolecular C—H...O contact C—H...O hydrogen bonds C—H...π interactions Crystallography Shaaban K. Mohamed verfasserin aut Mehmet Akkurt verfasserin aut Eman A. Ahmed verfasserin aut Ahmed Khodairy verfasserin aut In Acta Crystallographica Section E: Crystallographic Communications International Union of Crystallography, 2015 71(2015), 7, Seite o440-o441 (DE-627)845400835 (DE-600)2843762-7 20569890 nnns volume:71 year:2015 number:7 pages:o440-o441 https://doi.org/10.1107/S2056989015010038 kostenfrei https://doaj.org/article/8ec63411c5cb4dd4b03c6f51bcf0a6a1 kostenfrei http://scripts.iucr.org/cgi-bin/paper?S2056989015010038 kostenfrei https://doaj.org/toc/2056-9890 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 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_4338 GBV_ILN_4367 GBV_ILN_4700 AR 71 2015 7 o440-o441
language	English
source	In Acta Crystallographica Section E: Crystallographic Communications 71(2015), 7, Seite o440-o441 volume:71 year:2015 number:7 pages:o440-o441
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format_phy_str_mv	Article
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topic_facet	crystal structure pyrazolones short intramolecular C—H...O contact C—H...O hydrogen bonds C—H...π interactions Crystallography
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callnumber-first	Q - Science
author	Joel T. Mague
spellingShingle	Joel T. Mague misc QD901-999 misc crystal structure misc pyrazolones misc short intramolecular C—H...O contact misc C—H...O hydrogen bonds misc C—H...π interactions misc Crystallography Crystal structure of (4Z)-4-[(dimethylamino)methylidene]-3,5-dioxo-2-phenylpyrazolidine-1-carbaldehyde
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topic_title	QD901-999 Crystal structure of (4Z)-4-[(dimethylamino)methylidene]-3,5-dioxo-2-phenylpyrazolidine-1-carbaldehyde crystal structure pyrazolones short intramolecular C—H...O contact C—H...O hydrogen bonds C—H...π interactions
topic	misc QD901-999 misc crystal structure misc pyrazolones misc short intramolecular C—H...O contact misc C—H...O hydrogen bonds misc C—H...π interactions misc Crystallography
topic_unstemmed	misc QD901-999 misc crystal structure misc pyrazolones misc short intramolecular C—H...O contact misc C—H...O hydrogen bonds misc C—H...π interactions misc Crystallography
topic_browse	misc QD901-999 misc crystal structure misc pyrazolones misc short intramolecular C—H...O contact misc C—H...O hydrogen bonds misc C—H...π interactions misc Crystallography
format_facet	Elektronische Aufsätze Aufsätze Elektronische Ressource
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title	Crystal structure of (4Z)-4-[(dimethylamino)methylidene]-3,5-dioxo-2-phenylpyrazolidine-1-carbaldehyde
ctrlnum	(DE-627)DOAJ075797844 (DE-599)DOAJ8ec63411c5cb4dd4b03c6f51bcf0a6a1
title_full	Crystal structure of (4Z)-4-[(dimethylamino)methylidene]-3,5-dioxo-2-phenylpyrazolidine-1-carbaldehyde
author_sort	Joel T. Mague
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author_browse	Joel T. Mague Shaaban K. Mohamed Mehmet Akkurt Eman A. Ahmed Ahmed Khodairy
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author-letter	Joel T. Mague
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author2-role	verfasserin
title_sort	crystal structure of (4z)-4-[(dimethylamino)methylidene]-3,5-dioxo-2-phenylpyrazolidine-1-carbaldehyde
callnumber	QD901-999
title_auth	Crystal structure of (4Z)-4-[(dimethylamino)methylidene]-3,5-dioxo-2-phenylpyrazolidine-1-carbaldehyde
abstract	In the title compound, C13H13N3O3, the pyrazolidine ring adopts a shallow envelope conformation, with the carbonyl C atom closest to the benzene ring as the flap [deviation of 0.126 (1) Å from the plane through the remaining atoms (r.m.s. deviation = 0.011 Å)]. The dihedral angle between the pyrazolidine ring (all atoms) and the benzene ring is 51.09 (4)°. An extremely short (2.08 Å) intramolecular C—H...O contact is seen. In the crystal, molecules are linked by C—H...O bonds, generating [010] chains. Extremely weak C—H...π interactions are also observed.
abstractGer	In the title compound, C13H13N3O3, the pyrazolidine ring adopts a shallow envelope conformation, with the carbonyl C atom closest to the benzene ring as the flap [deviation of 0.126 (1) Å from the plane through the remaining atoms (r.m.s. deviation = 0.011 Å)]. The dihedral angle between the pyrazolidine ring (all atoms) and the benzene ring is 51.09 (4)°. An extremely short (2.08 Å) intramolecular C—H...O contact is seen. In the crystal, molecules are linked by C—H...O bonds, generating [010] chains. Extremely weak C—H...π interactions are also observed.
abstract_unstemmed	In the title compound, C13H13N3O3, the pyrazolidine ring adopts a shallow envelope conformation, with the carbonyl C atom closest to the benzene ring as the flap [deviation of 0.126 (1) Å from the plane through the remaining atoms (r.m.s. deviation = 0.011 Å)]. The dihedral angle between the pyrazolidine ring (all atoms) and the benzene ring is 51.09 (4)°. An extremely short (2.08 Å) intramolecular C—H...O contact is seen. In the crystal, molecules are linked by C—H...O bonds, generating [010] chains. Extremely weak C—H...π interactions are also observed.
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container_issue	7
title_short	Crystal structure of (4Z)-4-[(dimethylamino)methylidene]-3,5-dioxo-2-phenylpyrazolidine-1-carbaldehyde
url	https://doi.org/10.1107/S2056989015010038 https://doaj.org/article/8ec63411c5cb4dd4b03c6f51bcf0a6a1 http://scripts.iucr.org/cgi-bin/paper?S2056989015010038 https://doaj.org/toc/2056-9890
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author2	Shaaban K. Mohamed Mehmet Akkurt Eman A. Ahmed Ahmed Khodairy
author2Str	Shaaban K. Mohamed Mehmet Akkurt Eman A. Ahmed Ahmed Khodairy
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up_date	2024-07-03T16:53:14.980Z
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Crystal structure of (4Z)-4-[(dimethylamino)methylidene]-3,5-dioxo-2-phenylpyrazolidine-1-carbaldehyde

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