Cytenamide-butyric acid (1/1)

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

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

Cytenamide forms a 1:1 solvate with butyric acid [systematic name: 5H-dibenzo[a,d]cycloheptatriene-5-carboxamide-butanoic acid (1/1)], C16H13NO·C4H8O2. The title compound crystallizes with one molecule of cytenamide and one of butyric acid in the asymmetric unit; these molecules are linked by N-HO and O-HO hydrogen bonds to form an R22(8) heterodimer motif. Pairs of adjacent motifs are further connected via N-HO interactions to form a discrete centrosymmetric assembly.
LanguageEnglish
PagesO1295-U2200
Number of pages9
JournalActa Crystallographica Section E: Structure Reports
Volume64
Issue number7
DOIs
Publication statusPublished - Jul 2008

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Butyric acid
Butyric Acid
butyric acid
molecules
Molecules
assembly
hydrogen bonds
acids
Hydrogen bonds
interactions
cytenamide

Keywords

  • single-crystal X-ray study
  • T = 160 K
  • mean (C–C) = 0.002 A°
  • R factor = 0.041
  • wR factor = 0.089
  • data-to-parameter ratio = 18.0
  • parallel crystallization
  • packing motifs
  • carbamazepine
  • 10
  • 11-dihydrocarbamazepine
  • patterns

Cite this

Johnston, A., Florence, A. J., Fabbiani, F. J. A., Shankland, K., & Bedford, C. T. (2008). Cytenamide-butyric acid (1/1). Acta Crystallographica Section E: Structure Reports, 64(7), O1295-U2200. https://doi.org/10.1107/S1600536808018059
Johnston, A. ; Florence, A.J. ; Fabbiani, F.J.A. ; Shankland, K. ; Bedford, C.T. / Cytenamide-butyric acid (1/1). In: Acta Crystallographica Section E: Structure Reports. 2008 ; Vol. 64, No. 7. pp. O1295-U2200.
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Johnston, A, Florence, AJ, Fabbiani, FJA, Shankland, K & Bedford, CT 2008, 'Cytenamide-butyric acid (1/1)' Acta Crystallographica Section E: Structure Reports, vol. 64, no. 7, pp. O1295-U2200. https://doi.org/10.1107/S1600536808018059

Cytenamide-butyric acid (1/1). / Johnston, A.; Florence, A.J.; Fabbiani, F.J.A.; Shankland, K.; Bedford, C.T.

In: Acta Crystallographica Section E: Structure Reports, Vol. 64, No. 7, 07.2008, p. O1295-U2200.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Cytenamide-butyric acid (1/1)

AU - Johnston, A.

AU - Florence, A.J.

AU - Fabbiani, F.J.A.

AU - Shankland, K.

AU - Bedford, C.T.

PY - 2008/7

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N2 - Cytenamide forms a 1:1 solvate with butyric acid [systematic name: 5H-dibenzo[a,d]cycloheptatriene-5-carboxamide-butanoic acid (1/1)], C16H13NO·C4H8O2. The title compound crystallizes with one molecule of cytenamide and one of butyric acid in the asymmetric unit; these molecules are linked by N-HO and O-HO hydrogen bonds to form an R22(8) heterodimer motif. Pairs of adjacent motifs are further connected via N-HO interactions to form a discrete centrosymmetric assembly.

AB - Cytenamide forms a 1:1 solvate with butyric acid [systematic name: 5H-dibenzo[a,d]cycloheptatriene-5-carboxamide-butanoic acid (1/1)], C16H13NO·C4H8O2. The title compound crystallizes with one molecule of cytenamide and one of butyric acid in the asymmetric unit; these molecules are linked by N-HO and O-HO hydrogen bonds to form an R22(8) heterodimer motif. Pairs of adjacent motifs are further connected via N-HO interactions to form a discrete centrosymmetric assembly.

KW - single-crystal X-ray study

KW - T = 160 K

KW - mean (C–C) = 0.002 A°

KW - R factor = 0.041

KW - wR factor = 0.089

KW - data-to-parameter ratio = 18.0

KW - parallel crystallization

KW - packing motifs

KW - carbamazepine

KW - 10

KW - 11-dihydrocarbamazepine

KW - patterns

U2 - 10.1107/S1600536808018059

DO - 10.1107/S1600536808018059

M3 - Article

VL - 64

SP - O1295-U2200

JO - Acta Crystallographica Section E: Structure Reports

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JF - Acta Crystallographica Section E: Structure Reports

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