Crystallography Open Database

Information card for entry 7238529

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Coordinates	7238529.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cytosinium para amino benzoate cytosine monohydrate
Formula	C15 H19 N7 O5
Calculated formula	C15 H19 N7 O5
Title of publication	Competition between the two-point and three-point synthon in cytosine‒carboxylic acid complexes
Authors of publication	Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	20
Pages of publication	7065
a	7.3666 ± 0.0003 Å
b	6.4615 ± 0.0003 Å
c	36.9629 ± 0.0016 Å
α	90°
β	94.462 ± 0.001°
γ	90°
Cell volume	1754.08 ± 0.13 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0548
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1415
Weighted residual factors for all reflections included in the refinement	0.145
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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