Cytenamide acetic acid solvate

Andrea Johnston; A.J. Florence; F.J.A. Fabianni; K. Shankland; C.T. Bedford

doi:10.1107/S160053680801550X

Cytenamide acetic acid solvate

Andrea Johnston, A.J. Florence, F.J.A. Fabianni, K. Shankland, C.T. Bedford

Strathclyde Institute Of Pharmacy And Biomedical Sciences

Research output: Contribution to journal › Article › peer-review

1 Citation (Scopus)

Abstract

In the crystal structure of the title compound (systematic name: 5H-dibenzo[a,d]cycloheptatriene-5-carboxamide ethanoic acid solvate), C16H13NO·C2H4O2, the cytenamide and solvent molecules form a hydrogen-bonded R22(8) dimer motif, which is further connected to form a centrosymmetric double ring motif arrangement. The cycloheptene ring adopts a boat conformation and the dihedral angle between the least-squares planes through the two aromatic rings is 54.7 (2)°.

Original language	English
Pages (from-to)	1175-1176
Number of pages	1
Journal	Acta Crystallographica Section E: Structure Reports
Volume	64
Issue number	6
DOIs	https://doi.org/10.1107/S160053680801550X
Publication status	Published - Jun 2008

Keywords

single-crystal X-ray study
T = 160 K
mean (C–C) = 0.006 A°
R factor = 0.090
wR factor = 0.148
data-to-parameter ratio = 13.9

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10.1107/S160053680801550X

Cite this

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title = "Cytenamide acetic acid solvate",

abstract = "In the crystal structure of the title compound (systematic name: 5H-dibenzo[a,d]cycloheptatriene-5-carboxamide ethanoic acid solvate), C16H13NO·C2H4O2, the cytenamide and solvent molecules form a hydrogen-bonded R22(8) dimer motif, which is further connected to form a centrosymmetric double ring motif arrangement. The cycloheptene ring adopts a boat conformation and the dihedral angle between the least-squares planes through the two aromatic rings is 54.7 (2)°.",

keywords = "single-crystal X-ray study, T = 160 K, mean (C–C) = 0.006 A°, R factor = 0.090, wR factor = 0.148, data-to-parameter ratio = 13.9",

author = "Andrea Johnston and A.J. Florence and F.J.A. Fabianni and K. Shankland and C.T. Bedford",

year = "2008",

month = jun,

doi = "10.1107/S160053680801550X",

language = "English",

volume = "64",

pages = "1175--1176",

journal = "Acta Crystallographica Section E: Structure Reports",

issn = "1600-5368",

number = "6",

}

TY - JOUR

T1 - Cytenamide acetic acid solvate

AU - Johnston, Andrea

AU - Florence, A.J.

AU - Fabianni, F.J.A.

AU - Shankland, K.

AU - Bedford, C.T.

PY - 2008/6

Y1 - 2008/6

N2 - In the crystal structure of the title compound (systematic name: 5H-dibenzo[a,d]cycloheptatriene-5-carboxamide ethanoic acid solvate), C16H13NO·C2H4O2, the cytenamide and solvent molecules form a hydrogen-bonded R22(8) dimer motif, which is further connected to form a centrosymmetric double ring motif arrangement. The cycloheptene ring adopts a boat conformation and the dihedral angle between the least-squares planes through the two aromatic rings is 54.7 (2)°.

AB - In the crystal structure of the title compound (systematic name: 5H-dibenzo[a,d]cycloheptatriene-5-carboxamide ethanoic acid solvate), C16H13NO·C2H4O2, the cytenamide and solvent molecules form a hydrogen-bonded R22(8) dimer motif, which is further connected to form a centrosymmetric double ring motif arrangement. The cycloheptene ring adopts a boat conformation and the dihedral angle between the least-squares planes through the two aromatic rings is 54.7 (2)°.

KW - single-crystal X-ray study

KW - T = 160 K

KW - mean (C–C) = 0.006 A°

KW - R factor = 0.090

KW - wR factor = 0.148

KW - data-to-parameter ratio = 13.9

UR - http://journals.iucr.org/e/journalhomepage.html

UR - http://dx.doi.org/10.1107/S160053680801550X

U2 - 10.1107/S160053680801550X

DO - 10.1107/S160053680801550X

M3 - Article

VL - 64

SP - 1175

EP - 1176

JO - Acta Crystallographica Section E: Structure Reports

JF - Acta Crystallographica Section E: Structure Reports

SN - 1600-5368

IS - 6

ER -

Cytenamide acetic acid solvate

Abstract

Keywords

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Physical Organic Chemistry: Opportunities In Synthesis, Materials And Pharmaceuticals (Science And Innovation Award)

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Cytenamide acetic acid solvate

Abstract

Keywords

Access to Document

Other files and links

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Physical Organic Chemistry: Opportunities In Synthesis, Materials And Pharmaceuticals (Science And Innovation Award)

Cite this